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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201772
CHEMBL1201772
Compound Name PRASUGREL
ChEMBL Synonyms EFFIENT | PRASUGREL | PRASUGREL HYDROCHLORIDE | EFIENT
Max Phase 4 (Approved)
Trade Names EFFIENT | EFIENT
Molecular Formula C20H20FNO3S

Additional synonyms for CHEMBL1201772 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)Oc1cc2CN(CCc2s1)C(C(=O)C3CC3)c4ccccc4F
Standard InChI InChI=1S/C20H20FNO3S/c1-12(23)25-18-10-14-11-22(9-8-17(14)26 ...
Download InChI
Standard InChI Key DTGLZDAWLRGWQN-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1201772

Molecule Features

CHEMBL1201772 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:Y Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
HIV InfectionsD015658EFO:0000764HIV infection1ClinicalTrials
Heart DiseasesD006331EFO:0003777heart disease2ClinicalTrials
ThrombosisD013927HP:0004419Recurrent thrombophlebitis4ATC
Anemia, Sickle CellD000755Orphanet:232Sickle cell anemia3ClinicalTrials
Acute Coronary SyndromeD054058EFO:0005672acute coronary syndrome4DailyMed
DailyMed
DailyMed
ClinicalTrials
Atrial FibrillationD001281EFO:0000275atrial fibrillation3ClinicalTrials
Myocardial InfarctionD009203EFO:0000612myocardial infarction3ClinicalTrials
Coronary Artery DiseaseD003324EFO:0000378coronary artery disease3ClinicalTrials
Renal Insufficiency, ChronicD051436EFO:0003884chronic kidney disease3ClinicalTrials

Clinical Data

ClinicalTrials.gov PRASUGREL
The Cochrane Collaboration PRASUGREL

Metabolites for CHEMBL1201772

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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
373.5 373.1148 3.89 5 46.61 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.65 2.72 2.72 2 26 0.75

Structural Alerts

There are 2 structural alerts for CHEMBL1201772. 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
B01AC22 - prasugrel

ChemSpider ChemSpider:DTGLZDAWLRGWQN-UHFFFAOYSA-N
DailyMed prasugrel hydrochloride
PubChem SID: 124899264 SID: 174006898
Wikipedia Prasugrel

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201772



ACToR 150322-43-3
Brenda 71273 72089
ChEBI 87723
ChemicalBook CB01463424
DrugBank DB06209
DrugCentral 4113
eMolecules 11312913
Guide to Pharmacology 7562
Human Metabolome Database HMDB0015625
IBM Patent System 2FE1DEBA1970F434677AB611BFDF3DF3
Mcule MCULE-1302242257
MolPort MolPort-006-395-740
Nikkaji J1.292.848C
PharmGKB PA154410481
PubChem 6918456
PubChem: Drugs of the Future 12015290
PubChem: Thomson Pharma 14755496
Selleck Prasugrel
SureChEMBL SCHEMBL245032

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