UCSF

ZINC03976476

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 27 No

Popular Name: Dalcetrapib Dalcetrapib

Find On: PubMed — Wikipedia — Google

CAS Numbers: 211513-37-0 , [211513-37-0]

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) 7.07 2.13 -8.11 1 3 0 46 389.605 9 ↓

Vendor Notes

Note Type Comments Provided By
Target CETP Selleck Chemicals

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 6000 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CETP_HUMAN P11597 Cholesteryl Ester Transfer Protein, Human 6000 0.27 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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