TORCETRAPIB

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 4N4457MV2U

Structure
InChI Key CMSGWTNRGKRWGS-NQIIRXRSSA-N
Smile CCOC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)OC)C[C@H]1CC
InChI
InChI=1S/C26H25F9N2O4/c1-4-18-12-21(19-11-15(24(27,28)29)6-7-20(19)37(18)23(39)41-5-2)36(22(38)40-3)13-14-8-16(25(30,31)32)10-17(9-14)26(33,34)35/h6-11,18,21H,4-5,12-13H2,1-3H3/t18-,21+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H25F9N2O4
Molecular Weight 600.48
AlogP 8.2
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 59.08
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 41.0

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)
- 3-110 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hyperlipidemias 3 D006949 ClinicalTrials
Hyperlipoproteinemia Type II 3 D006938 ClinicalTrials
Hyperlipoproteinemia Type III 3 D006952 ClinicalTrials
Hyperlipidemia, Familial Combined 3 D006950 ClinicalTrials
Coronary Disease 3 D003327 ClinicalTrials
Hypertriglyceridemia 3 D015228 ClinicalTrials
Hypercholesterolemia 3 D006937 ClinicalTrials
Lipid Metabolism Disorders 3 D052439 ClinicalTrials
Hyperlipoproteinemia Type IV 3 D006953 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 262352-17-0
ChEBI 49203
ChEMBL CHEMBL479527
DrugBank DB06281
EPA CompTox DTXSID20180873
FDA SRS 4N4457MV2U
PDB 0RP
PubChem 159325
SureChEMBL SCHEMBL49081
ZINC ZINC000008214714
CONTENTS