EVACETRAPIB

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Synonyms
Status
Molecule Category Free-form
UNII 51XWV9K850

Structure

InChI Key IHIUGIVXARLYHP-YBXDKENTSA-N
Smiles 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

Mechanism of Action Action Reference
Cholesteryl ester transfer protein inhibitor 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 - - 79
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 26-110 - - 79

Target Conservation

Protein: Cholesteryl ester transfer protein
Description: Cholesteryl ester transfer protein
Organism : Homo sapiens
P11597 ENSG00000087237

Cross References

Resources Reference
ChEMBL CHEMBL2017179
DrugBank DB11655
FDA SRS 51XWV9K850
Guide to Pharmacology 8401
SureChEMBL SCHEMBL108602
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