105820 <common-name>Topiroxostat</common-name> <description>Topiroxostat is an organic compound with the formula C13H8N6 and an average molecular weight of 248.25 g/mol. Topiroxostat belongs to the pyridyltriazoles, a subclass of pyridines and derivatives within the organic compounds. Classified as an organoheterocyclic compound, it acts as an inhibitor of the protein target xanthine dehydrogenase/oxidase (XDH).</description> <cas>577778-58-6</cas> <pubchem-id>5288320</pubchem-id> <chemical-formula>C13H8N6</chemical-formula> <weight>248.24</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">2026-04-05T12:38:54Z</created-at> <updated-at type="dateTime">2026-08-19T03:23:37Z</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>DB01685</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>N#CC1=NC=CC(=C1)C1=NNC(=N1)C1=CC=NC=C1</moldb-smiles> <moldb-formula>C13H8N6</moldb-formula> <moldb-inchi>InChI=1S/C13H8N6/c14-8-11-7-10(3-6-16-11)13-17-12(18-19-13)9-1-4-15-5-2-9/h1-7H,(H,17,18,19)</moldb-inchi> <moldb-inchikey>UBVZQGOVTLIHLH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">248.249</moldb-average-mass> <moldb-mono-mass type="decimal">248.0810443</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.82</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>CHEM101713</chemdb-id> <dsstox-id>DTXSID80206462</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00070900</susdat-id> <iupac>4-[5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl]pyridine-2-carbonitrile</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>Organoheterocyclic compounds</superklass> <klass>Pyridines and derivatives</klass> <subklass>Pyridyltriazoles</subklass> <paper-count type="integer">441</paper-count> <sync-id>CED0011618</sync-id> <structure-inchikey>UBVZQGOVTLIHLH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000040000000000000000000000000000000000000000000000000800100200000000000210000000000000000000000200000000000000000008000000000000000000000000000002000000000020000000000000000120000000000000000000010000000000000000000000000000000000000000000000000080000000020800080000080000000000080000000040000200000000000000000000000000008c000000000000000080000000000000000000000000000000000001040000000000000000000002000000000000200000000000000000000000001002040000000000000000200000000000000080000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAATAAAAFQAAAIABBwAoAAAAAgMGACgAAAAC BAZAKAAAAAMEB0AoAAAAAwMGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAZA aAAAAAMDAQZAKAAAAAMEB0AoAAAAAwMHQDgAAAADAQMGQCgAAAADBAdAKAAA AAMDBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEHQCgAAAADAwZAaAAAAAMD AQZAaAAAAAMDAQsAASgDAQIgAgNoDAMEaAwEBWgMBQZoDAYHaAwGCCAICWgM CQpoDAoLaAwLDGgMCw0gDQ5oDA4PaAwPEGgMEBFoDBESaAwHAmgMDAhoDBIN aAxCAwAAAAYCBwYFBAMFCQgMCwoGDg8QERINFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:41:55Z</structure-indexed-at> </compound>