ANACETRAPIB

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: P7T269PR6S

Structure
InChI Key MZZLGJHLQGUVPN-HAWMADMCSA-N
Smile COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C
InChI
InChI=1S/C30H25F10NO3/c1-14(2)22-11-23(25(43-4)12-24(22)31)21-6-5-18(28(32,33)34)9-17(21)13-41-15(3)26(44-27(41)42)16-7-19(29(35,36)37)10-20(8-16)30(38,39)40/h5-12,14-15,26H,13H2,1-4H3/t15-,26-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H25F10NO3
Molecular Weight 637.51
AlogP 9.76
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 3.0
Heavy Atoms 44.0

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)
- 17-60 - - 84-94

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypercholesterolemia 3 D006937 ClinicalTrials
Lipid Metabolism Disorders 3 D052439 ClinicalTrials
Hyperlipoproteinemia Type II 3 D006938 ClinicalTrials
Coronary Disease 3 D003327 ClinicalTrials
Cardiovascular Diseases 3 D002318 ClinicalTrials
Hyperlipoproteinemia Type II 3 D006938 ClinicalTrials
Hyperlipidemias 2 D006949 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 875446-37-0
ChEMBL CHEMBL1800807
DrugBank DB06630
EPA CompTox DTXSID90236452
FDA SRS P7T269PR6S
Guide to Pharmacology 8400
PubChem 11556427
SureChEMBL SCHEMBL531448
ZINC ZINC000068087592
CONTENTS