OBICETRAPIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 8O74K609HN

Structure
InChI Key NRWORBQAOQVYBJ-GJZUVCINSA-N
Smile CCOC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(OCCCC(=O)O)cn2)C[C@H]1CC
InChI
InChI=1S/C32H31F9N4O5/c1-3-22-14-26(24-13-19(30(33,34)35)7-8-25(24)45(22)29(48)49-4-2)44(28-42-15-23(16-43-28)50-9-5-6-27(46)47)17-18-10-20(31(36,37)38)12-21(11-18)32(39,40)41/h7-8,10-13,15-16,22,26H,3-6,9,14,17H2,1-2H3,(H,46,47)/t22-,26+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H31F9N4O5
Molecular Weight 722.61
AlogP 8.67
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 11.0
Polar Surface Area 105.09
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 50.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cholesteryl ester transfer protein inhibitor

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Atherosclerosis 3 D050197 ClinicalTrials
Lipid Metabolism Disorders 2 D052439 ClinicalTrials
Alzheimer Disease 2 D000544 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3785197
DrugBank DB14890
FDA SRS 8O74K609HN
PubChem 11498596
SureChEMBL SCHEMBL17002081
ZINC ZINC000161884690
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