CHEBI:75392 - LM-1685

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ChEBI Name LM-1685 ChEBI ID CHEBI:75392 Definition An indolyl carboxylate ester that is methyl 1H-indole-2-carboxylate substituted by a 4-chlorobenzyl group at position 1 and a methylsulfonyl group at position 5. It acts as a selective inhibitor of cyclooxygenase 2. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H16ClNO4S Net Charge 0 Average Mass 377.84200 Monoisotopic Mass 377.04886 InChI InChI=1S/C18H16ClNO4S/c1-24-18(21)17-10-13-9-15(25(2,22)23)7-8-16(13)20(17)11-12-3-5-14(19)6-4-12/h3-10H,11H2,1-2H3 InChIKey UBZBOEWMQPWUKB-UHFFFAOYSA-N SMILES COC(=O)c1cc2cc(ccc2n1Cc1ccc(Cl)cc1)S(C)(=O)=O Roles Classification Biological Role(s): cyclooxygenase 2 inhibitor A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2. View more via ChEBI Ontology ChEBI Ontology Outgoing LM-1685 (CHEBI:75392) has role cyclooxygenase 2 inhibitor (CHEBI:50629) LM-1685 (CHEBI:75392) is a indolyl carboxylate ester (CHEBI:46939) LM-1685 (CHEBI:75392) is a methyl ester (CHEBI:25248) LM-1685 (CHEBI:75392) is a monochlorobenzenes (CHEBI:83403) LM-1685 (CHEBI:75392) is a sulfone (CHEBI:35850) IUPAC Name methyl 1-(4-chlorobenzyl)-5-(methylsulfonyl)-1H-indole-2-carboxylate Manual Xref Database LSM-5626 LINCS View more database links Registry Number Type Source 9144620 Reaxys Registry Number Reaxys Citation Type Source 11906281 PubMed citation Europe PMC Last Modified 25 February 2016