CGE

Clopidogrel

Created:	2010-04-07
Last modified:	2021-03-13

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2 entries where CGE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	1
Bond Count	39
Aromatic Bond Count	11

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Chemical Component Summary
Name	Clopidogrel
Synonyms	methyl (2S)-(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethanoate
Systematic Name (OpenEye OEToolkits)	methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanoate
Formula	C₁₆ H₁₆ Cl N O₂ S
Molecular Weight	321.822
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccccc1C(N3CCc2sccc2C3)C(=O)OC
SMILES	CACTVS	3.370	COC(=O)[CH](N1CCc2sccc2C1)c3ccccc3Cl
SMILES	OpenEye OEToolkits	1.7.0	COC(=O)C(c1ccccc1Cl)N2CCc3c(ccs3)C2
Canonical SMILES	CACTVS	3.370	COC(=O)[C@@H](N1CCc2sccc2C1)c3ccccc3Cl
Canonical SMILES	OpenEye OEToolkits	1.7.0	COC(=O)[C@H](c1ccccc1Cl)N2CCc3c(ccs3)C2
InChI	InChI	1.03	InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/t15-/m0/s1
InChIKey	InChI	1.03	GKTWGGQPFAXNFI-HNNXBMFYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB00758 ?
Name	Clopidogrel
Groups	approved
Description	Clopidogrel is a prodrug of a platelet inhibitor used to reduce the risk of myocardial infarction and stroke.[A180508,L7213] Clopidogrel is indicated to reduce the risk of myocardial infarction for patients with non-ST elevated acute coronary syndrome (ACS), patients with ST-elevated myocardial infarction, and in recent MI, stroke, or established peripheral arterial disease,[L7213] It has been shown to be superior to [aspirin] in reducing cardiovascular outcomes in patients with cardiovascular disease and provides additional benefit to patients with acute coronary syndromes already taking aspirin.[A180547] Clopidogrel was granted FDA approval on 17 November 1997.[L7213]
Synonyms	Clopidogrel bisulfate (+)-Clopidogrel Clopidogrel Clopidogrelum Clopidogrel hydrochloride Clopidogrel besilate Clopidogrel resinate
Brand Names	Clopido Grel 1a Pharma Riva-clopidogrel Bio-clopidogrel Clopidogrel Ratiopharm Clopidogrel Krka D.D. Dom-clopidogrel Clopidogrel Acino Pharma Gmbh Duoplavin Mint-clopidogrel Clopidogrel Kit Clopidogrel/acetylsalicylic Acid Zentiva Clopidogrel Hexal Clopidogrel Hcs Accel-clopidogrel Clopidogrel Tad Plavix Clopidogrel 75mg Clopidogrel/acetylsalicylic Acid Mylan Clopidogrel Apotex Plavi Clopidogrel Teva Pharma Iscover Mar-clopidogrel Nra-clopidogrel Clopidogrel Sandoz Grepid Q-clopidogrel Clopidogrel Zentiva Sandoz Clopidogrel Zyllt Rbx-clopidogrel Clopidogrel Mylan Clopidogrel 1a Pharma Clopidogrel bisulfate Teva-clopidogrel Auro-clopidogrel Clopidogre Ratiopharm PMS-clopidogrel Ipg-clopidogrel Torrent-clopidogrel Clopidogrel Bisulfate Mylan-clopidogrel Jamp-clopidogrel Taro-clopidogrel Apo-clopidogrel Clopidogrel Krka Clopidogrel Bms Clopidogrel Teva Pharma B.V. Clopidogrel Abbott-clopidogrel Clopidogrel Ratiopharm Gmbh Clopidogrel Acino Pharma Clopidogrel Qualimed Clopidogrel Teva Clopidogrel Acino Ag-clopidogrel Clopidogrel Viatris Priva-clopidogrel Clopidogrel Bgr M-clopidogrel Act Clopidogrel
Indication	Clopidogrel is indicated to reduce the risk of myocardial infarction for patients with non-ST elevated acute coronary syndrome (ACS), patients with ST-elevated myocardial infarction, and in recent MI, stroke, or established peripheral arterial disease,[L7213]
Categories	Antiplatelet agents Blood and Blood Forming Organs Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2B6 Inhibitors Cytochrome P-450 CYP2B6 Inhibitors (moderate) Cytochrome P-450 CYP2B6 Substrates Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (strong) Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Decreased Platelet Aggregation Hematologic Agents Heterocyclic Compounds, Fused-Ring Neurotransmitter Agents OCT1 inhibitors OCT2 Inhibitors P-glycoprotein substrates P2Y12 Platelet Inhibitor Platelet Aggregation Inhibitors Excl. Heparin Purinergic Agents Purinergic Antagonists Purinergic P2 Receptor Antagonists Purinergic P2Y Receptor Antagonists Pyridines Sulfur Compounds Thienopyridines Thiophenes
ATC-Code	B01AC04
CAS number	113665-84-2

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
P2Y purinoceptor 12	MQAVDNLTSAPGNTSLCTRDYKITQVLFPLLYTVLFFVGLITNGLAMRIF...	unknown	antagonist
Cytochrome P450 2C9	MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDI...	unknown	substrate,inhibitor
Cytochrome P450 1A2	MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPL...	unknown	substrate
Cytochrome P450 2C8	MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDI...	unknown	inhibitor
Liver carboxylesterase 1	MWLRAFILATLSASAAWGHPSSPPVVDTVHGKVLGKFVSLEGFAQPVAIF...	unknown	substrate
Cytochrome P450 3A4	MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI...	unknown	substrate
Cytochrome P450 2B6	MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRG...	unknown	substrate,inhibitor
Cytochrome P450 3A5	MDLIPNLAVETWLLLAVSLVLLYLYGTRTHGLFKRLGIPGPTPLPLLGNV...	unknown	substrate
Cytochrome P450 2C19	MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDV...	unknown	substrate
Albumin	MKWVTFISLLFLFSSAYSRGVFRRDAHKSEVAHRFKDLGEENFKALVLIA...	unknown	binder
ATP-dependent translocase ABCB1	MDLEGDRNGGAKKKNFFKLNNKSEKDKKEKKPTVSVFSMFRYSNWLDKLY...	unknown	substrate
Solute carrier family 22 member 1	MPTVDDILEQVGESGWFQKQAFLILCLLSAAFAPICVGIVFLGFTPDHHC...	unknown	inhibitor
Solute carrier family 22 member 2	MPTTVDDVLEHGGEFHFFQKQMFFLLALLSATFAPIYVGIVFLGFTPDHR...	unknown	inhibitor
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Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682