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Compound Detail

CHEMBL1083385

CLOPIDOGREL BISULFATE
💊 Approved Drug
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💊 Approved Drug
COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1.O=S(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1083385
Name CLOPIDOGREL BISULFATE
Phase Approved
Structure Type MOL
InChI Key FDEODCTUSIWGLK-RSAXXLAASA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL1771
Active Moiety CHEMBL1201398

Known Names

Clopidogrel (as bisulfate) Clopidogrel (as hydrogen sulfate) Clopidogrel bgr (previously zylagren) Clopidogrel bisulfate Clopidogrel bisulfate component of clopidogrel/acetylsalicyclic acid teva Clopidogrel bisulfate component of duocover Clopidogrel bisulfate component of duoplavin Clopidogrel bisulphate Clopidogrel bms Clopidogrel hydrogen sulfate Clopidogrel hydrogen sulphate Clopidogrel ratiopharm +14 more
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
12
Publications
26
Known Names
12
Indications
1
Mechanisms

Molecular Properties

321.8
MW (Da)
3.67
ALogP
4
HBA
0
HBD
29.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1997
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Oral

Flags

Black Box Warning Prodrug
USAN Stem -grel
USAN Year 1997

Extended Properties

Molecular Formula C16H18ClNO6S2
MW 419.91
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.58

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Purinergic receptor P2Y12 antagonist ANTAGONIST P2Y purinoceptor 12 ✓ ✓

Indications

Acute Coronary Syndrome Angina, Unstable Atrial Fibrillation Ischemia Myocardial Infarction Peripheral Arterial Disease Peripheral Vascular Diseases Stroke Gastrointestinal Hemorrhage Pulmonary Disease, Chronic Obstructive Breast Neoplasms Coronary Disease

Drug Warnings

Black Box Warning
General Warning
Country: United States

Activity Summary

IC50 2 meas. best 4.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bile salt export pump
CHEMBL6020
 IC50 4.14 4.14 72000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Bile salt export pump IC50 = 72000.0 nM 4.14 Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as... 23956101

Literature References

PubMed DOI Target Context # Activities
20426472 10.1021/jm100254w Cruzipain 2
20426472 10.1021/jm100254w No relevant target 2
22428882 10.1021/jm300038c Rattus norvegicus 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
23956101 10.1093/toxsci/kft176 Bile salt export pump 1
23956101 10.1093/toxsci/kft176 ATP-binding cassette sub-family C member 2 1
23956101 10.1093/toxsci/kft176 ATP-binding cassette sub-family C member 3 1
23956101 10.1093/toxsci/kft176 ATP-binding cassette sub-family C member 4 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine