ZOM

[5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetic acid

Created:	2011-03-29
Last modified:	2020-06-05

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2 entries where ZOM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	11

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Chemical Component Summary
Name	[5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetic acid
Synonyms	Zomepirac
Systematic Name (OpenEye OEToolkits)	2-[5-(4-chlorophenyl)carbonyl-1,4-dimethyl-pyrrol-2-yl]ethanoic acid
Formula	C₁₅ H₁₄ Cl N O₃
Molecular Weight	291.73
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1c(cc(n1C)CC(=O)O)C)c2ccc(Cl)cc2
SMILES	CACTVS	3.370	Cn1c(CC(O)=O)cc(C)c1C(=O)c2ccc(Cl)cc2
SMILES	OpenEye OEToolkits	1.7.0	Cc1cc(n(c1C(=O)c2ccc(cc2)Cl)C)CC(=O)O
Canonical SMILES	CACTVS	3.370	Cn1c(CC(O)=O)cc(C)c1C(=O)c2ccc(Cl)cc2
Canonical SMILES	OpenEye OEToolkits	1.7.0	Cc1cc(n(c1C(=O)c2ccc(cc2)Cl)C)CC(=O)O
InChI	InChI	1.03	InChI=1S/C15H14ClNO3/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10/h3-7H,8H2,1-2H3,(H,18,19)
InChIKey	InChI	1.03	ZXVNMYWKKDOREA-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04828
Name	Zomepirac
Groups	withdrawn
Description	Zomepirac, formerly marketed as Zomax tablets, was associated with fatal and near-fatal anaphylactoid reactions. The manufacturer voluntarily removed Zomax tablets from the Canadian, US, and UK markets in March 1983.
Synonyms	Zomepirac Zomepirac sodium anhydrous Zomepiracum 5-(4-Chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid Zomepirac sodium
Indication	Zomepirac was indicated for the management of mild to severe pain.
Categories	Acetic Acid Derivatives and Related Substances Agents causing hyperkalemia Agents that produce hypertension Analgesics Analgesics, Non-Narcotic Anti-Inflammatory Agents Anti-Inflammatory Agents, Non-Steroidal Antiinflammatory and Antirheumatic Products Antiinflammatory and Antirheumatic Products, Non-Steroids Antirheumatic Agents Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Musculo-Skeletal System Nephrotoxic agents Non COX-2 selective NSAIDS Peripheral Nervous System Agents Sensory System Agents
ATC-Code	M01AB04
CAS number	33369-31-2

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Prostaglandin D2 receptor 2	MSANATLKPLCPILEQMSRLQSHSNTSIRYIDHAAVLLHGLASLLGLVEN...	unknown
Cytochrome P450 3A4	MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI...	unknown	substrate
Serum albumin	MKWVTFISLLFLFSSAYSRGVFRRDAHKSEVAHRFKDLGEENFKALVLIA...	unknown

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