141498 <common-name>Elarofiban anhydrous</common-name> <description>Elarofiban anhydrous is an organic compound with the formula C22H32N4O4 and an average molecular weight of 416.52 g/mol. Elarofiban anhydrous belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. Regarding its biological activity, there are two recorded protein targets for this compound. It acts as a modulator of Integrin beta-3 (ITGB3) and Integrin alpha-IIb (ITGA2B).</description> <cas>198958-88-2</cas> <pubchem-id>216230</pubchem-id> <chemical-formula>C22H32N4O4</chemical-formula> <weight>416.5</weight> <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">2026-04-15T17:53:34Z</created-at> <updated-at type="dateTime">2026-08-21T23:01:59Z</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>DB21212</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>OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)C1=CN=CC=C1</moldb-smiles> <moldb-formula>C22H32N4O4</moldb-formula> <moldb-inchi>InChI=1S/C22H32N4O4/c27-20(6-5-16-7-10-23-11-8-16)26-12-2-4-18(15-26)22(30)25-19(13-21(28)29)17-3-1-9-24-14-17/h1,3,9,14,16,18-19,23H,2,4-8,10-13,15H2,(H,25,30)(H,28,29)/t18-,19+/m1/s1</moldb-inchi> <moldb-inchikey>ABNXKGFLZFSILK-MOPGFXCFSA-N</moldb-inchikey> <moldb-average-mass type="decimal">416.522</moldb-average-mass> <moldb-mono-mass type="decimal">416.242355526</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-2.2</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>CHEM137391</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>(3S)-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoic 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">2</paper-count> <sync-id>CED0054623</sync-id> <structure-inchikey>ABNXKGFLZFSILK-MOPGFXCFSA-N</structure-inchikey> <structure-fingerprint>60000004000000000000800200002400000000000000002000000000000000000000000010004000000000000000402004000000000004020000000000000000200000000000000000000000000002000020020002004000000000001000000000000000810000008000000000000000000000020100000000024000080040100800100000000000800000204000040080000010000000000000000000000000002000080004000000000400080000000000000400000000008000000008000900000008000420001000000000000000000000000000000000400200000000000000080000000000002040000000000400000000000000000000004000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAeAAAAIAAAAIABCABoAAAAAwEBBgAoAAAA AwQIACgAAAADAgYAYAAAAAICBiA0AAAAAgEEBwBoAAAAAwIBBgAoAAAAAwQI ACgAAAADAgYgNAAAAAIBBAYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgcAKAAA AAMDBgBgAAAAAgIGACgAAAADBAgAKAAAAAMCBgBgAAAAAgIGAGAAAAACAgYA YAAAAAMBBgBgAAAAAgIGAGAAAAACAgcAYAAAAAIBBgBgAAAAAgIGAGAAAAAC AgZAKAAAAAMEBkBoAAAAAwMBB0AoAAAAAwMGQGgAAAADAwEGQGgAAAADAwEG QGgAAAADAwELAAEgAQIoAgEDAAMEAAQFAAUGIAYHKAIGCAAICQAJCgAKCwAL DAAMDQAMDiAODygCDhAAEBEAERIAEhMAExQAFBUAFRYAFhcABBgAGBloDBka aAwaG2gMGxxoDBwdaAwNCAAXEgAdGGgMQgMAAAAGCQoLDA0IBhMUFRYXEgYZ GhscHRgXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:52:14Z</structure-indexed-at> </compound>