137660 <common-name>Amtolmetin guacil</common-name> <description>Amtolmetin guacil is an organic compound with the formula C17H18N2O4 and an average molecular weight of 314.34 g/mol. Amtolmetin guacil belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. There are two recorded protein targets for this compound, as it acts as a modulator of Prostaglandin G/H synthase 1 (PTGS1) and Prostaglandin G/H synthase 2 (PTGS2).</description> <cas>87344-05-6</cas> <pubchem-id>135911</pubchem-id> <chemical-formula>C17H18N2O4</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-14T20:35:39Z</created-at> <updated-at type="dateTime">2026-05-14T19:55:31Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id>DB16088</drugbank-id> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CN1C(CC(=O)NCC(O)=O)=CC=C1C(=O)C1=CC=C(C)C=C1</moldb-smiles> <moldb-formula>C17H18N2O4</moldb-formula> <moldb-inchi>InChI=1S/C17H18N2O4/c1-11-3-5-12(6-4-11)17(23)14-8-7-13(19(14)2)9-15(20)18-10-16(21)22/h3-8H,9-10H2,1-2H3,(H,18,20)(H,21,22)</moldb-inchi> <moldb-inchikey>IYNXNYQOVKPFMM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">314.341</moldb-average-mass> <moldb-mono-mass type="decimal">314.126657068</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.62</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM133553</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>2-{2-[1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetamido}acetic acid</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer">7</paper-count> <sync-id>CED0039042</sync-id> <structure-inchikey>IYNXNYQOVKPFMM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000004000000000800400000000000000000000000004000000001000000000100000000000040010000000000006000000000000000000000000800000000000008000080000000000000000000020000000000000020000000000000000000000010000000000000000000000028000000100000000000000000000000000000040000000000010000000004080000000000000000000000000000000000000000000000020000000084000000000000080000000000000000200000000000000000000000000000000000000000000004000002000400200000100000000000100000000000040000000000480100000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAXAAAAGAAAAIABBgBgAAAAAQMHQCgAAAAD AwZAKAAAAAMEBgBgAAAAAgIGACgAAAADBAgAKAAAAAMCBwBoAAAAAwIBBgBg AAAAAgIGACgAAAADBAgAaAAAAAMBAQgAKAAAAAMCBkBoAAAAAwMBBkBoAAAA AwMBBkAoAAAAAwQGACgAAAADBAgAKAAAAAMCBkAoAAAAAwQGQGgAAAADAwEG QGgAAAADAwEGQCgAAAADBAYAYAAAAAEDBkBoAAAAAwMBBkBoAAAAAwMBCwAB AAECaAwCAwADBAAEBSgCBAYgBgcABwgACAkgCAooAgILaAwLDGgMDA1oDA0O IA4PKAIOECAQEWgMERJoDBITaAwTFAATFWgMFRZoDA0BaAwWEGgMQgIAAAAF AQILDA0GERITFRYQFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:50:31Z</structure-indexed-at> </compound>