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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1097279
CHEMBL1097279
Compound Name CANGRELOR TETRASODIUM
ChEMBL Synonyms CANGRELOR | AR-C69931MX | CANGRELOR TETRASODIUM
Max Phase 4 (Approved)
Trade Names
Molecular Formula C17H21Cl2F3N5Na4O12P3S2

Additional synonyms for CHEMBL1097279 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].[Na+].[Na+].[Na+].CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H ...
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Standard InChI InChI=1S/C17H25Cl2F3N5O12P3S2.4Na/c1-43-5-3-23-12-9-13(26-15 ...
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Standard InChI Key COWWROCHWNGJHQ-OPKBHZIBSA-J

Sources

  • Orange Book
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1097279

Molecule Features

CHEMBL1097279 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
THROMBOSISD013927HP:0004419RECURRENT THROMBOPHLEBITIS4DailyMed
ATC
MYOCARDIAL INFARCTIOND009203EFO:0000612MYOCARDIAL INFARCTION4DailyMed

Clinical Data

ClinicalTrials.gov CANGRELOR TETRASODIUM
The Cochrane Collaboration CANGRELOR TETRASODIUM

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 2.42 16 335.94 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
18 7 3 17 7 2


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 0.04

Structural Alerts

There are 14 structural alerts for CHEMBL1097279. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:COWWROCHWNGJHQ-OPKBHZIBSA-J

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1097279



ACToR 163706-36-3
ChEBI 90836
EPA CompTox Dashboard DTXSID50167652
FDA SRS 2144G00Y7W
PubChem 11954340 10260031
PubChem: Drugs of the Future 50086900
PubChem: Thomson Pharma 15263392

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/COWWROCHWNGJHQ-OPKBHZIBSA-J spacer
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