CLOPIDOGREL BISULFATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1997)
Entry Type: Small molecule
Molecule Category: Salt Prodrug
UNII: 08I79HTP27
Parent Compound: CLOPIDOGREL

Structure
InChI Key FDEODCTUSIWGLK-RSAXXLAASA-N
Smile COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1.O=S(=O)(O)O
InChI
InChI=1S/C16H16ClNO2S.H2O4S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;1-5(2,3)4/h2-5,7,9,15H,6,8,10H2,1H3;(H2,1,2,3,4)/t15-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H18ClNO6S2
Molecular Weight 419.91
AlogP 3.67
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 29.54
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Purinergic receptor P2Y12 antagonist DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 145
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 72000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Gastrointestinal Hemorrhage 3 D006471 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Coronary Disease 1 D003327 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Vascular disorders
26.37
Gastrointestinal disorders
14.12
Nervous system disorders
9.9
General disorders and administration site conditions
9.08
Injury, poisoning and procedural complications
6.84
Cardiac disorders
5.91
Respiratory, thoracic and mediastinal disorders
3.71
Skin and subcutaneous tissue disorders
3.56
Blood and lymphatic system disorders
2.98
Investigations
2.9
Psychiatric disorders
2.48
Musculoskeletal and connective tissue disorders
2.32

Cross References

Resources Reference
ChEBI 3759
ChEMBL CHEMBL1083385
EPA CompTox DTXSID4046024
FDA SRS 08I79HTP27
PubChem 115366
SureChEMBL SCHEMBL33556
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