UCSF

ZINC13779993

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 34 Yes

Popular Name: 1-cycloheptyl-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea 1-cycloheptyl-1-[[4-(4-methylpip…

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Download: MOL2 SDF SMILES Flexibase

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) 5.76 15.68 -41.38 2 5 1 40 463.69 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 57 0.30 Binding ≤ 10μM
SOAT2-1-E Acyl Coenzyme A:cholesterol Acyltransferase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 57 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SOAT1_HUMAN P35610 Acyl Coenzyme A:cholesterol Acyltransferase 1, Human 57 0.30 Binding ≤ 1μM
SOAT2_HUMAN O75908 Acyl Coenzyme A:cholesterol Acyltransferase 2, Human 57 0.30 Binding ≤ 1μM
SOAT1_HUMAN P35610 Acyl Coenzyme A:cholesterol Acyltransferase 1, Human 57 0.30 Binding ≤ 10μM
SOAT2_HUMAN O75908 Acyl Coenzyme A:cholesterol Acyltransferase 2, Human 57 0.30 Binding ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )