ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1800807
CHEMBL1800807
Compound Name ANACETRAPIB
ChEMBL Synonyms ANACETRAPIB
Max Phase 3
Trade Names
Molecular Formula C30H25F10NO3

Additional synonyms for CHEMBL1800807 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(F)c(cc1c2ccc(cc2CN3[C@@H](C)[C@H](OC3=O)c4cc(cc(c4)C( ...
Download SMILES
Standard InChI InChI=1S/C30H25F10NO3/c1-14(2)22-11-23(25(43-4)12-24(22)31)2 ...
Download InChI
Standard InChI Key MZZLGJHLQGUVPN-HAWMADMCSA-N

Sources

  • AstraZeneca Deposited Data
  • Clinical Candidates
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1800807

Molecule Features

CHEMBL1800807 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Mechanism of Action

Mechanism of Action ChEMBL Target References
Cholesteryl ester transfer protein inhibitor Cholesteryl ester transfer protein PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
LIPID METABOLISM DISORDERSD052439Orphanet:309005DISORDER OF LIPID METABOLISM3ClinicalTrials
CARDIOVASCULAR DISEASESD002318EFO:0000319CARDIOVASCULAR DISEASE3ClinicalTrials
HYPERLIPOPROTEINEMIA TYPE IID006938EFO:0004911FAMILIAL HYPERCHOLESTEROLEMIA3ClinicalTrials
CORONARY DISEASED003327EFO:0001645CORONARY HEART DISEASE3ClinicalTrials
HYPERCHOLESTEROLEMIAD006937HP:0003124HYPERCHOLESTEROLEMIA3ClinicalTrials

Clinical Data

ClinicalTrials.gov ANACETRAPIB
The Cochrane Collaboration ANACETRAPIB

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
637.5 637.1675 9.34 9 38.77 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 2 4 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 7.28 7.28 3 44 0.22

Structural Alerts

There are 1 structural alerts for CHEMBL1800807. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MZZLGJHLQGUVPN-HAWMADMCSA-N
Wikipedia Anacetrapib

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1800807



ACToR 875446-37-0
BindingDB 50348228
eMolecules 36096531
EPA CompTox Dashboard DTXSID90236452
FDA SRS P7T269PR6S
Guide to Pharmacology 8400
IBM Patent System 04CE1EBFFF2D464F19858A4CB65EF5F2
MolPort MolPort-021-804-915
Nikkaji J2.620.043A
PubChem 11556427
PubChem: Drugs of the Future 125299337
PubChem: Thomson Pharma 16658560
Selleck anacetrapib-mk-0859
SureChEMBL SCHEMBL531448
ZINC ZINC000068087592

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/MZZLGJHLQGUVPN-HAWMADMCSA-N spacer
spacer