ROCACETRAPIB

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: K9SP3L3YQP

Structure
InChI Key GBHPDJQHZADVAA-SOKVYYICSA-N
Smile COc1cc(F)c(C(C)C)cc1C1=C(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)CC(C)(C)CC1
InChI
InChI=1S/C31H34F7NO3/c1-16(2)23-12-24(26(41-6)13-25(23)32)22-7-8-29(4,5)14-19(22)15-39-17(3)27(42-28(39)40)18-9-20(30(33,34)35)11-21(10-18)31(36,37)38/h9-13,16-17,27H,7-8,14-15H2,1-6H3/t17-,27-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H34F7NO3
Molecular Weight 601.6
AlogP 9.54
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 38.77
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 42.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cholesteryl ester transfer protein inhibitor Other

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lipid Metabolism Disorders 1 D052439 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297601
DrugBank DB15437
FDA SRS K9SP3L3YQP
PubChem 70674853
SureChEMBL SCHEMBL13278711
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