UCSF

ZINC08214714

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 41 No

Popular Name: Torcetrapib Torcetrapib

Find On: PubMed — Wikipedia — Google

CAS Numbers: 262352-17-0 , [262352-17-0]

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) 7.26 9.64 -15.29 0 6 0 59 600.478 10 ↓

Vendor Notes

Note Type Comments Provided By
Reactome Database Links REACT_13803 ChEBI
Patent Database Links US2005085497; US2007203080; US2007264334; US2008242593; WO2005030758; WO2005051386; WO2006124490; WO2006124713; WO2007103149 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CETP-1-E Cholesteryl Ester Transfer Protein (cluster #1 Of 3), Eukaryotic Eukaryotes 3 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CETP_HUMAN P11597 Cholesteryl Ester Transfer Protein, Human 18 0.26 Binding ≤ 1μM
CETP_HUMAN P11597 Cholesteryl Ester Transfer Protein, Human 18 0.26 Binding ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
HDL-mediated lipid transport

Reactome Annotations from Targets (via Uniprot)

Description Species
HDL-mediated lipid transport
LDL-mediated lipid transport

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