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Analogs

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Popular Name: (7S)-5-(4-bromophenyl)-N,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (7S)-5-(4-bromophenyl)-N,7-diphe…

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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) 5.46 12.5 -17.29 1 5 0 59 471.358 4 ↓

Analogs

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Popular Name: (7R)-5-(4-bromophenyl)-N,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (7R)-5-(4-bromophenyl)-N,7-diphe…

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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) 5.46 12.77 -16.43 1 5 0 59 471.358 4 ↓

Analogs

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Popular Name: (7S)-7-(4-bromophenyl)-N,5-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (7S)-7-(4-bromophenyl)-N,5-diphe…

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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) 5.46 12.51 -18.26 1 5 0 59 471.358 4 ↓

Analogs

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Popular Name: (7R)-7-(4-bromophenyl)-N,5-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (7R)-7-(4-bromophenyl)-N,5-diphe…

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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) 5.46 12.78 -17.3 1 5 0 59 471.358 4 ↓

Analogs

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Popular Name: (7S)-7-(4-bromophenyl)-5-(4-methoxyphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxami (7S)-7-(4-bromophenyl)-5-(4-meth…

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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) 5.51 11.82 -18.52 1 6 0 69 501.384 5 ↓

Analogs

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Popular Name: (7R)-7-(4-bromophenyl)-5-(4-methoxyphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxami (7R)-7-(4-bromophenyl)-5-(4-meth…

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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) 5.51 12.1 -17.62 1 6 0 69 501.384 5 ↓

Analogs

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Popular Name: (7S)-N-(4-chlorophenyl)-7-(2-fluorophenyl)-5-(4-methoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine- (7S)-N-(4-chlorophenyl)-7-(2-flu…

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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) 5.50 11.74 -16.14 1 6 0 69 474.923 5 ↓

Analogs

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Popular Name: (7R)-N-(4-chlorophenyl)-7-(2-fluorophenyl)-5-(4-methoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine- (7R)-N-(4-chlorophenyl)-7-(2-flu…

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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) 5.50 12 -17.1 1 6 0 69 474.923 5 ↓

Analogs

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Popular Name: (7S)-N-(4-chlorophenyl)-7-(4-fluorophenyl)-5-(4-methoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine- (7S)-N-(4-chlorophenyl)-7-(4-flu…

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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 11.78 -18.39 1 6 0 69 474.923 5 ↓

Analogs

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Popular Name: (7R)-N-(4-chlorophenyl)-7-(4-fluorophenyl)-5-(4-methoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine- (7R)-N-(4-chlorophenyl)-7-(4-flu…

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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 12.06 -17.44 1 6 0 69 474.923 5 ↓

Analogs

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Popular Name: N-(1-adamantyl)-7,7-dimethyl-5-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-(1-adamantyl)-7,7-dimethyl-5-p…

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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 580 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 580 0.29 Binding ≤ 1μM
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 580 0.29 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) 5.10 11.21 -17.62 1 5 0 59 402.542 3 ↓

Parameters Provided:

ring.id = 12151
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 = 12151 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=12151&filter.purchasability=annotated

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