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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL334966
CHEMBL334966
Compound Name CANGRELOR
ChEMBL Synonyms CANGRELOR TETRASODIUM | AR-C69931MX | KENGREAL | CANGRELOR | AR-C69931XX
Max Phase 4 (Approved)
Trade Names KENGREAL
Molecular Formula C17H25Cl2F3N5O12P3S2

Additional synonyms for CHEMBL334966 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]3O[C@H](COP(=O)(O)OP(=O ...
Download SMILES
Standard InChI InChI=1S/C17H25Cl2F3N5O12P3S2/c1-43-5-3-23-12-9-13(26-15(25- ...
Download InChI
Standard InChI Key PAEBIVWUMLRPSK-IDTAVKCVSA-N

Sources

  • Orange Book
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL334966

Molecule Features

CHEMBL334966 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Purinergic receptor P2Y12 antagonist Purinergic receptor P2Y12 FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Myocardial InfarctionD009203EFO:0000612myocardial infarction4ClinicalTrials
DailyMed
ThrombosisD013927HP:0004419Recurrent thrombophlebitis4ATC
DailyMed
Acute Coronary SyndromeD054058EFO:0005672acute coronary syndrome2ClinicalTrials
Coronary Artery DiseaseD003324EFO:0000378coronary artery disease2ClinicalTrials

Clinical Data

ClinicalTrials.gov CANGRELOR
The Cochrane Collaboration CANGRELOR

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
776.4 774.9483 2.85 15 255.91 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
15 7 3 17 7 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
.82 1.29 2.8 -3.54 2 44 0.05

Structural Alerts

There are 14 structural alerts for CHEMBL334966. To view alerts please click here.

Compound Cross References

ATC B - BLOOD AND BLOOD FORMING ORGANS
B01 - ANTITHROMBOTIC AGENTS
B01A - ANTITHROMBOTIC AGENTS
B01AC - Platelet aggregation inhibitors excl. heparin
B01AC25 - cangrelor

ChemSpider ChemSpider:PAEBIVWUMLRPSK-IDTAVKCVSA-N
DailyMed cangrelor

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL334966



ACToR 163706-06-7
BindingDB 50118225
ChEBI 90841
ChemicalBook CB62451277
DrugBank DB06441
DrugCentral 5006
EPA CompTox Dashboard DTXSID90167651
FDA SRS 6AQ1Y404U7
Guide to Pharmacology 1776
IBM Patent System DE42B170E77554039156CC064969DBD8
Nikkaji J1.089.474C
PharmGKB PA165945763
PubChem 9854012
PubChem: Thomson Pharma 14889113 14840449
SureChEMBL SCHEMBL6113860
ZINC ZINC000085537017

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