NIM

4-NITRO-2-PHENOXYMETHANESULFONANILIDE

Created:	2005-06-20
Last modified:	2020-06-05

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5 entries where NIM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	12

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Chemical Component Summary
Name	4-NITRO-2-PHENOXYMETHANESULFONANILIDE
Synonyms	NIMESULIDE
Systematic Name (OpenEye OEToolkits)	N-(4-nitro-2-phenoxy-phenyl)methanesulfonamide
Formula	C₁₃ H₁₂ N₂ O₅ S
Molecular Weight	308.31
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[O-][N+](=O)c2cc(Oc1ccccc1)c(cc2)NS(=O)(=O)C
SMILES	CACTVS	3.341	C[S](=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+]([O-])=O
SMILES	OpenEye OEToolkits	1.5.0	CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-]
Canonical SMILES	CACTVS	3.341	C[S](=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+]([O-])=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-]
InChI	InChI	1.03	InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3
InChIKey	InChI	1.03	HYWYRSMBCFDLJT-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04743
Name	Nimesulide
Groups	approved withdrawn investigational
Description	Nimesulide is a relatively COX-2 selective, non-steroidal anti-inflammatory drug (NSAID) with analgesic and antipyretic properties. Its approved indications are the treatment of acute pain, the symptomatic treatment of osteoarthritis and primary dysmenorrhoea in adolescents and adults above 12 years old. Due to concerns about the risk of hepatotoxicity, nimesulide has been withdrawn from market in many countries.
Synonyms	Nimesulide Nimesulida Nimesulidum
Indication	For the treatment of acute pain, the symptomatic treatment of osteoarthritis and primary dysmenorrhoea in adolescents and adults above 12 years old.
Categories	Agents causing hyperkalemia Agents that produce hypertension Amides Analgesics Analgesics, Non-Narcotic Anti-Inflammatory Agents Anti-Inflammatory Agents, Non-Steroidal Antiarrhythmic agents Antiinflammatory and Antirheumatic Products Antiinflammatory and Antirheumatic Products, Non-Steroids Antiinflammatory Preparations, Non-Steroids for Topical Use Antiplatelet agents Antirheumatic Agents Bradycardia-Causing Agents Calcium Channel Blockers Cyclooxygenase Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Enzyme Inhibitors Musculo-Skeletal System Nephrotoxic agents Peripheral Nervous System Agents Selective Cyclooxygenase 2 Inhibitors (NSAIDs) Sensory System Agents Sulfones Sulfur Compounds Topical Products for Joint and Muscular Pain
ATC-Code	M01AX17 M02AA26
CAS number	51803-78-2

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Prostaglandin G/H synthase 2	MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFY...	unknown	inhibitor
Group IIE secretory phospholipase A2	MKSPHVLVFLCLLVALVTGNLVQFGVMIEKMTGKSALQYNDYGCYCGIGG...	unknown
Lactotransferrin	MKLVFLVLLFLGALGLCLAGRRRSVQWCAVSQPEATKCFQWQRNMRKVRG...	unknown
Cytochrome P450 3A4	MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI...	unknown	substrate

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