TLT

Tolmetin

Created:	2011-06-03
Last modified:	2011-06-04

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1 entries where TLT 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	Tolmetin
Systematic Name (OpenEye OEToolkits)	2-[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]ethanoic acid
Formula	C₁₅ H₁₅ N O₃
Molecular Weight	257.284
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)Cc2ccc(C(=O)c1ccc(cc1)C)n2C
SMILES	CACTVS	3.370	Cn1c(CC(O)=O)ccc1C(=O)c2ccc(C)cc2
SMILES	OpenEye OEToolkits	1.7.2	Cc1ccc(cc1)C(=O)c2ccc(n2C)CC(=O)O
Canonical SMILES	CACTVS	3.370	Cn1c(CC(O)=O)ccc1C(=O)c2ccc(C)cc2
Canonical SMILES	OpenEye OEToolkits	1.7.2	Cc1ccc(cc1)C(=O)c2ccc(n2C)CC(=O)O
InChI	InChI	1.03	InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)
InChIKey	InChI	1.03	UPSPUYADGBWSHF-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB00500
Name	Tolmetin
Groups	approved
Description	A non-steroidal anti-inflammatory agent (anti-inflammatory agents, NON-steroidal) similar in mode of action to indomethacin.
Synonyms	Tolmétine Tolmetin sodium 5-(p-Toluoyl)-1-methylpyrrole-2-acetic acid Tolmetinum 1-Methyl-5-p-toluoylpyrrole-2-acetic acid Tolmetina 1-Methyl-5-(4-methylbenzoyl)-pyrrole-2-acetic acid Tolmetin Tolmetino
Brand Names	Novo-tolmetin Capsules 400mg Tolectin 200 Tab 200mg Tolectin Tab 600mg Tolectin 400 Cap 400mg Tolmetin Sodium
Indication	For the relief of signs and symptoms of rheumatoid arthritis and osteoarthritis, including the treatment of acute flares long-term management. Also for treatment of juvenile rheumatoid arthritis.
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 Anti-Inflammatory Agents, Non-Steroidal (Non-Selective) Antiinflammatory and Antirheumatic Products Antiinflammatory and Antirheumatic Products, Non-Steroids Antiinflammatory Preparations, Non-Steroids for Topical Use Antirheumatic Agents Cyclooxygenase Inhibitors Enzyme Inhibitors Musculo-Skeletal System Nephrotoxic agents Non COX-2 selective NSAIDS OAT1/SLC22A6 inhibitors Peripheral Nervous System Agents Sensory System Agents Topical Products for Joint and Muscular Pain
ATC-Code	M01AB03 M02AA21
CAS number	26171-23-3

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Prostaglandin G/H synthase 2	MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFY...	unknown	inhibitor
Prostaglandin G/H synthase 1	MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFG...	unknown	inhibitor
Tryptophan 2,3-dioxygenase	MSGCPFLGNNFGYTFKKLPVEGSEEDKSQTGVNRASKGGLIYGNYLHLEK...	unknown	inhibitor
Myeloperoxidase	MGVPFFSSLRCMVDLGPCWAGGLTAEMKLLLALAGLLAILATPQPSEGAA...	unknown	inhibitor
Serum albumin	MKWVTFISLLFLFSSAYSRGVFRRDAHKSEVAHRFKDLGEENFKALVLIA...	unknown
Solute carrier family 22 member 6	MAFNDLLQQVGGVGRFQQIQVTLVVLPLLLMASHNTLQNFTAAIPTHHCR...	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