EVACETRAPIB

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 51XWV9K850

Structure
InChI Key IHIUGIVXARLYHP-YBXDKENTSA-N
Smile Cc1cc(C)c2c(c1)[C@@H](N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1)CCCN2C[C@H]1CC[C@H](C(=O)O)CC1
InChI
InChI=1S/C31H36F6N6O2/c1-18-11-19(2)27-25(12-18)26(5-4-10-42(27)16-20-6-8-22(9-7-20)28(44)45)43(29-38-40-41(3)39-29)17-21-13-23(30(32,33)34)15-24(14-21)31(35,36)37/h11-15,20,22,26H,4-10,16-17H2,1-3H3,(H,44,45)/t20-,22-,26-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H36F6N6O2
Molecular Weight 638.66
AlogP 7.1
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 87.38
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 45.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cholesteryl ester transfer protein inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Other ion channel Pore-forming toxins (proteins and peptides)
- 26-110 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cardiovascular Diseases 3 D002318 ClinicalTrials
Hypercholesterolemia 3 D006937 ClinicalTrials
Hyperlipidemias 3 D006949 ClinicalTrials
Lipid Metabolism Disorders 2 D052439 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1186486-62-3
ChEMBL CHEMBL2017179
DrugBank DB11655
FDA SRS 51XWV9K850
Guide to Pharmacology 8401
SureChEMBL SCHEMBL108602
CONTENTS