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

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Popular Name: 2-[4-(o-tolyl)piperazin-1-yl]-N-[(4-phenyl-2-propyl-oxazol-5-yl)methyl]ethanamine 2-[4-(o-tolyl)piperazin-1-yl]-N-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAC1G-1-E Voltage-gated T-type Calcium Channel Alpha-1G Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 4300 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CAC1G_HUMAN O43497 Voltage-gated T-type Calcium Channel Alpha-1G Subunit, Human 4300 0.24 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) 5.01 10.08 -45.09 2 5 1 49 419.593 9 ↓
Hi High (pH 8-9.5) 5.01 8.7 -7.22 1 5 0 45 418.585 9 ↓
Mid Mid (pH 6-8) 5.01 10.12 -97.02 3 5 2 50 420.601 9 ↓

Analogs

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Popular Name: N-[(4-phenyl-2-propyl-oxazol-5-yl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine N-[(4-phenyl-2-propyl-oxazol-5-y…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAC1G-1-E Voltage-gated T-type Calcium Channel Alpha-1G Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 1940 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CAC1G_HUMAN O43497 Voltage-gated T-type Calcium Channel Alpha-1G Subunit, Human 1940 0.24 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) 5.48 9.77 -47.67 2 5 1 49 473.563 10 ↓
Hi High (pH 8-9.5) 5.48 8.38 -8.76 1 5 0 45 472.555 10 ↓
Lo Low (pH 4.5-6) 5.48 11.98 -135.68 3 5 2 50 474.571 10 ↓

Analogs

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Popular Name: 2-[4-(3-fluorophenyl)piperazin-1-yl]-N-[(4-phenyl-2-propyl-oxazol-5-yl)methyl]ethanamine 2-[4-(3-fluorophenyl)piperazin-1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAC1G-1-E Voltage-gated T-type Calcium Channel Alpha-1G Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 3350 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CAC1G_HUMAN O43497 Voltage-gated T-type Calcium Channel Alpha-1G Subunit, Human 3350 0.25 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) 4.75 8.83 -49.12 2 5 1 49 423.556 9 ↓
Hi High (pH 8-9.5) 4.75 7.44 -8.97 1 5 0 45 422.548 9 ↓
Lo Low (pH 4.5-6) 4.75 11.02 -136.57 3 5 2 50 424.564 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-phenyl-2-propyl-oxazol-5-yl)methyl]-2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine N-[(4-phenyl-2-propyl-oxazol-5-y…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAC1G-1-E Voltage-gated T-type Calcium Channel Alpha-1G Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 2100 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CAC1G_HUMAN O43497 Voltage-gated T-type Calcium Channel Alpha-1G Subunit, Human 2100 0.23 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) 5.46 10.03 -43.62 2 5 1 49 473.563 10 ↓
Hi High (pH 8-9.5) 5.46 8.66 -8.78 1 5 0 45 472.555 10 ↓
Lo Low (pH 4.5-6) 5.46 12.22 -124.33 3 5 2 50 474.571 10 ↓

Analogs

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Popular Name: 2-(4-phenylpiperazin-1-yl)-N-[(4-phenyl-2-propyl-oxazol-5-yl)methyl]ethanamine 2-(4-phenylpiperazin-1-yl)-N-[(4…

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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) 4.61 8.76 -46.96 2 5 1 49 405.566 9 ↓
Hi High (pH 8-9.5) 4.61 7.37 -8.14 1 5 0 45 404.558 9 ↓
Lo Low (pH 4.5-6) 4.61 10.96 -132.21 3 5 2 50 406.574 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(4-phenyl-2-propyl-oxazol-5-yl)methyl]ethanamine 2-[4-(2-fluorophenyl)piperazin-1…

Find On: PubMed — Wikipedia — Google

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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) 4.73 9.27 -44.99 2 5 1 49 423.556 9 ↓
Hi High (pH 8-9.5) 4.73 7.89 -9.47 1 5 0 45 422.548 9 ↓
Lo Low (pH 4.5-6) 4.73 11.46 -125.4 3 5 2 50 424.564 9 ↓

Parameters Provided:

ring.id = 38792
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 = 38792 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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