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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (5S)-N-[1-(3-chlorophenyl)-1-ethyl-propyl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrim (5S)-N-[1-(3-chlorophenyl)-1-eth…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CASR-1-E Calcium Sensing Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 17 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 17 0.34 Binding ≤ 1μM
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 17 0.34 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.08 13.04 -8.42 2 5 0 59 451.014 6 ↓
Lo Low (pH 4.5-6) 6.08 13.2 -34.59 3 5 1 60 452.022 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-[1-(3-chlorophenyl)-1-ethyl-propyl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrim (5R)-N-[1-(3-chlorophenyl)-1-eth…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CASR-1-E Calcium Sensing Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 17 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 17 0.34 Binding ≤ 1μM
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 17 0.34 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.08 13.03 -8.45 2 5 0 59 451.014 6 ↓
Lo Low (pH 4.5-6) 6.08 13.19 -34.63 3 5 1 60 452.022 6 ↓

Analogs

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Popular Name: (5S)-N-[1-ethyl-1-(4-fluorophenyl)propyl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimi (5S)-N-[1-ethyl-1-(4-fluoropheny…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CASR-1-E Calcium Sensing Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 7 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 7.3 0.36 Binding ≤ 1μM
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 7.3 0.36 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.59 12.59 -9.06 2 5 0 59 434.559 6 ↓
Lo Low (pH 4.5-6) 5.59 12.74 -38.46 3 5 1 60 435.567 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-[1-ethyl-1-(4-fluorophenyl)propyl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimi (5R)-N-[1-ethyl-1-(4-fluoropheny…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CASR-1-E Calcium Sensing Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 7 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 7.3 0.36 Binding ≤ 1μM
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 7.3 0.36 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.59 12.58 -9.07 2 5 0 59 434.559 6 ↓
Lo Low (pH 4.5-6) 5.59 12.73 -38.55 3 5 1 60 435.567 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-ethyl-N-[1-ethyl-1-(p-tolyl)propyl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrim (5R)-2-ethyl-N-[1-ethyl-1-(p-tol…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CASR-1-E Calcium Sensing Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 7 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 6.7 0.34 Binding ≤ 1μM
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 6.7 0.34 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.66 14.22 -9.08 2 5 0 59 458.65 7 ↓
Lo Low (pH 4.5-6) 6.66 14.34 -29.5 3 5 1 60 459.658 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-2-ethyl-N-[1-ethyl-1-(p-tolyl)propyl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrim (5S)-2-ethyl-N-[1-ethyl-1-(p-tol…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CASR-1-E Calcium Sensing Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 7 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 6.7 0.34 Binding ≤ 1μM
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 6.7 0.34 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.66 14.23 -9.1 2 5 0 59 458.65 7 ↓
Lo Low (pH 4.5-6) 6.66 14.34 -29.66 3 5 1 60 459.658 7 ↓

Analogs

38800894
38800894

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-(1-ethyl-1-phenyl-propyl)-2,7,7-trimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3 (5R)-N-(1-ethyl-1-phenyl-propyl)…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CASR-1-E Calcium Sensing Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 2.3 0.38 Binding ≤ 1μM
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 2.3 0.38 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.64 12.84 -9.29 2 5 0 59 430.596 6 ↓
Lo Low (pH 4.5-6) 5.64 12.95 -30.4 3 5 1 60 431.604 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-[1-ethyl-1-(p-tolyl)propyl]-7,7-dimethyl-5-phenyl-2-propyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyri (5R)-N-[1-ethyl-1-(p-tolyl)propy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CASR-1-E Calcium Sensing Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 6 0.33 Binding ≤ 1μM
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 6 0.33 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 7.17 15 -9.01 2 5 0 59 472.677 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-N-[1-ethyl-1-(p-tolyl)propyl]-7,7-dimethyl-5-phenyl-2-propyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyri (5S)-N-[1-ethyl-1-(p-tolyl)propy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CASR-1-E Calcium Sensing Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 6 0.33 Binding ≤ 1μM
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 6 0.33 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 7.17 15.01 -8.99 2 5 0 59 472.677 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-butyl-N-[1-ethyl-1-(p-tolyl)propyl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrim (5R)-2-butyl-N-[1-ethyl-1-(p-tol…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CASR-1-E Calcium Sensing Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 11 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 11 0.31 Binding ≤ 1μM
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 11 0.31 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 7.73 15.78 -9.01 2 5 0 59 486.704 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-2-butyl-N-[1-ethyl-1-(p-tolyl)propyl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrim (5S)-2-butyl-N-[1-ethyl-1-(p-tol…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CASR-1-E Calcium Sensing Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 11 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 11 0.31 Binding ≤ 1μM
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 11 0.31 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 7.73 15.79 -8.96 2 5 0 59 486.704 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-N-[1-ethyl-1-(3-fluorophenyl)propyl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimi (5S)-N-[1-ethyl-1-(3-fluoropheny…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CASR-1-E Calcium Sensing Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 25 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 25 0.33 Binding ≤ 1μM
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 25 0.33 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.56 12.59 -8.98 2 5 0 59 434.559 6 ↓
Lo Low (pH 4.5-6) 5.56 12.74 -35.03 3 5 1 60 435.567 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-[1-ethyl-1-(3-fluorophenyl)propyl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimi (5R)-N-[1-ethyl-1-(3-fluoropheny…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CASR-1-E Calcium Sensing Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 25 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 25 0.33 Binding ≤ 1μM
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 25 0.33 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.56 12.58 -9.03 2 5 0 59 434.559 6 ↓
Lo Low (pH 4.5-6) 5.56 12.73 -35.1 3 5 1 60 435.567 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-N-[1-ethyl-1-(2-fluorophenyl)propyl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimi (5S)-N-[1-ethyl-1-(2-fluoropheny…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CASR-1-E Calcium Sensing Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 12 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 12 0.35 Binding ≤ 1μM
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 12 0.35 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.54 12.63 -10.63 2 5 0 59 434.559 6 ↓
Lo Low (pH 4.5-6) 5.54 12.78 -41.05 3 5 1 60 435.567 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-[1-ethyl-1-(2-fluorophenyl)propyl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimi (5R)-N-[1-ethyl-1-(2-fluoropheny…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CASR-1-E Calcium Sensing Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 12 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 12 0.35 Binding ≤ 1μM
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 12 0.35 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.54 12.62 -10.63 2 5 0 59 434.559 6 ↓
Lo Low (pH 4.5-6) 5.54 12.77 -41.12 3 5 1 60 435.567 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-[1-(4-acetylphenyl)-1-ethyl-propyl]-2,7,7-trimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]py (5R)-N-[1-(4-acetylphenyl)-1-eth…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CASR-1-E Calcium Sensing Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 5 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 4.8 0.33 Binding ≤ 1μM
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 4.8 0.33 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.54 13.27 -14.07 2 6 0 76 472.633 7 ↓
Lo Low (pH 4.5-6) 5.54 13.35 -38.56 3 6 1 77 473.641 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-N-[1-ethyl-1-[4-(trifluoromethyl)phenyl]propyl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1 (5S)-N-[1-ethyl-1-[4-(trifluorom…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CASR-1-E Calcium Sensing Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 7.6 0.32 Binding ≤ 1μM
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 7.6 0.32 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.32 13.52 -9.23 2 5 0 59 484.566 7 ↓
Lo Low (pH 4.5-6) 6.32 13.68 -39.04 3 5 1 60 485.574 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-[1-ethyl-1-[4-(trifluoromethyl)phenyl]propyl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1 (5R)-N-[1-ethyl-1-[4-(trifluorom…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CASR-1-E Calcium Sensing Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 7.6 0.32 Binding ≤ 1μM
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 7.6 0.32 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.32 13.51 -9.15 2 5 0 59 484.566 7 ↓
Lo Low (pH 4.5-6) 6.32 13.67 -39.1 3 5 1 60 485.574 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-7,7-dimethyl-5-phenyl-N-[1-propyl-1-[4-(trifluoromethyl)phenyl]butyl]-5,6-dihydro-4H-pyrazolo[1 (5S)-7,7-dimethyl-5-phenyl-N-[1-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CASR-1-E Calcium Sensing Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 4 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 4.4 0.32 Binding ≤ 1μM
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 4.4 0.32 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 7.44 15.05 -9 2 5 0 59 512.62 9 ↓
Lo Low (pH 4.5-6) 7.44 15.21 -39.35 3 5 1 60 513.628 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-7,7-dimethyl-5-phenyl-N-[1-propyl-1-[4-(trifluoromethyl)phenyl]butyl]-5,6-dihydro-4H-pyrazolo[1 (5R)-7,7-dimethyl-5-phenyl-N-[1-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CASR-1-E Calcium Sensing Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 4 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 4.4 0.32 Binding ≤ 1μM
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 4.4 0.32 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 7.44 15.04 -9.06 2 5 0 59 512.62 9 ↓
Lo Low (pH 4.5-6) 7.44 15.2 -39.48 3 5 1 60 513.628 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-N-[1-butyl-1-[4-(trifluoromethyl)phenyl]pentyl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1 (5S)-N-[1-butyl-1-[4-(trifluorom…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CASR-1-E Calcium Sensing Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 23 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 23 0.27 Binding ≤ 1μM
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 23 0.27 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 8.37 16.61 -8.89 2 5 0 59 540.674 11 ↓
Lo Low (pH 4.5-6) 8.37 16.76 -39.43 3 5 1 60 541.682 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-[1-butyl-1-[4-(trifluoromethyl)phenyl]pentyl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1 (5R)-N-[1-butyl-1-[4-(trifluorom…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CASR-1-E Calcium Sensing Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 23 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 23 0.27 Binding ≤ 1μM
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 23 0.27 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 8.37 16.6 -8.89 2 5 0 59 540.674 11 ↓
Lo Low (pH 4.5-6) 8.37 16.75 -39.52 3 5 1 60 541.682 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-N-[1-isopropyl-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-7,7-dimethyl-5-phenyl-5,6-dihydro- (5S)-N-[1-isopropyl-2-methyl-1-[…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CASR-1-E Calcium Sensing Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 30 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 30 0.28 Binding ≤ 1μM
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 30 0.28 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.80 14.25 -7.89 2 5 0 59 512.62 7 ↓
Lo Low (pH 4.5-6) 6.80 14.12 -40.31 3 5 1 60 513.628 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-[1-isopropyl-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-7,7-dimethyl-5-phenyl-5,6-dihydro- (5R)-N-[1-isopropyl-2-methyl-1-[…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CASR-1-E Calcium Sensing Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 30 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 30 0.28 Binding ≤ 1μM
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 30 0.28 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.80 14.24 -7.87 2 5 0 59 512.62 7 ↓
Lo Low (pH 4.5-6) 6.80 14.11 -40.38 3 5 1 60 513.628 7 ↓

Parameters Provided:

ring.id = 471324
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 471324 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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