135588 <common-name>Avoralstat</common-name> <description>Avoralstat is an organic compound with the chemical formula C28H27N5O5. Avoralstat belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 513.55 g/mol, Avoralstat is a heavy molecule. In terms of biological activity, it acts as an inhibitor of two recorded protein targets: Kallikrein-2 (KLK2) and Kininogen-1 (KNG1).</description> <cas>918407-35-9</cas> <pubchem-id>86566678</pubchem-id> <chemical-formula>C28H27N5O5</chemical-formula> <weight>513.5</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">2026-04-14T18:36:55Z</created-at> <updated-at type="dateTime">2026-08-22T08:14:14Z</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>DB12120</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>COC1=CC(=C(C=C1C=C)C(=O)NC1=CC=C(C=C1)C(N)=N)C1=CC=C(N=C1C(O)=O)C(=O)NCC1CC1</moldb-smiles> <moldb-formula>C28H27N5O5</moldb-formula> <moldb-inchi>InChI=1S/C28H27N5O5/c1-3-16-12-21(26(34)32-18-8-6-17(7-9-18)25(29)30)20(13-23(16)38-2)19-10-11-22(33-24(19)28(36)37)27(35)31-14-15-4-5-15/h3,6-13,15H,1,4-5,14H2,2H3,(H3,29,30)(H,31,35)(H,32,34)(H,36,37)</moldb-inchi> <moldb-inchikey>TUWMKPVJGGWGNL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">513.554</moldb-average-mass> <moldb-mono-mass type="decimal">513.201218989</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.63</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>CHEM131481</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>3-{2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl}-6-[(cyclopropylmethyl)carbamoyl]pyridine-2-carboxylic 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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Anilides</subklass> <paper-count type="integer">61</paper-count> <sync-id>CED0022124</sync-id> <structure-inchikey>TUWMKPVJGGWGNL-UHFFFAOYSA-N</structure-inchikey> 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