DALCETRAPIB

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3D050LIQ3H

Structure
InChI Key YZQLWPMZQVHJED-UHFFFAOYSA-N
Smile CCC(CC)CC1(C(=O)Nc2ccccc2SC(=O)C(C)C)CCCCC1
InChI
InChI=1S/C23H35NO2S/c1-5-18(6-2)16-23(14-10-7-11-15-23)22(26)24-19-12-8-9-13-20(19)27-21(25)17(3)4/h8-9,12-13,17-18H,5-7,10-11,14-16H2,1-4H3,(H,24,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H35NO2S
Molecular Weight 389.61
AlogP 6.68
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 46.17
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cholesteryl ester transfer protein inhibitor PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Other ion channel Pore-forming toxins (proteins and peptides)
- 4100-6000 - - 50

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cardiovascular Diseases 3 D002318 ClinicalTrials
Coronary Disease 3 D003327 ClinicalTrials
Acute Coronary Syndrome 3 D054058 ClinicalTrials
Peripheral Arterial Disease 3 D058729 ClinicalTrials
Dyslipidemias 3 D050171 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials
Hyperlipidemias 2 D006949 ClinicalTrials
Lipid Metabolism Disorders 2 D052439 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 211513-37-0
ChEBI 95001
ChEMBL CHEMBL313006
DrugBank DB12181
FDA SRS 3D050LIQ3H
PharmGKB PA166131581
PubChem 6918540
SureChEMBL SCHEMBL528622
ZINC ZINC000003976476
CONTENTS