107112 <common-name>Onalespib</common-name> <description>Onalespib is an organic compound with the chemical formula C24H31N3O3 and an average molecular weight of 409.53 g/mol. Onalespib belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is classified within the superclass of benzenoids. Regarding its biological activity, one protein target is recorded for this compound, acting as an inhibitor of Heat shock protein HSP 90-alpha (HSP90AA1).</description> <cas>912999-49-6</cas> <pubchem-id>11955716</pubchem-id> <chemical-formula>C24H31N3O3</chemical-formula> <weight>409.5</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">2026-04-05T13:39:41Z</created-at> <updated-at type="dateTime">2026-08-22T03:55:06Z</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>DB06306</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>CC(C)C1=CC(C(=O)N2CC3=C(C2)C=C(CN2CCN(C)CC2)C=C3)=C(O)C=C1O</moldb-smiles> <moldb-formula>C24H31N3O3</moldb-formula> <moldb-inchi>InChI=1S/C24H31N3O3/c1-16(2)20-11-21(23(29)12-22(20)28)24(30)27-14-18-5-4-17(10-19(18)15-27)13-26-8-6-25(3)7-9-26/h4-5,10-12,16,28-29H,6-9,13-15H2,1-3H3</moldb-inchi> <moldb-inchikey>IFRGXKKQHBVPCQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">409.53</moldb-average-mass> <moldb-mono-mass type="decimal">409.2365419</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.43</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>CHEM103005</chemdb-id> <dsstox-id>DTXSID80238485</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00072580</susdat-id> <iupac>4-{5-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole-2-carbonyl}-6-(propan-2-yl)benzene-1,3-diol</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>Benzoic acids and derivatives</subklass> <paper-count type="integer">500</paper-count> <sync-id>CED0011095</sync-id> <structure-inchikey>IFRGXKKQHBVPCQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40020000000000000020800000000040000000000000000420050000000400000000001000000200000000000020000000000000000080000000000000000000000200000000000000000200000000000020000000000000000000000080000000008000010000000000000000100000000000020100000000000010000000000000000040000000000000000000004000000000000000000000080000000000000000000000000000000000080000000000000000000000008000008000010000000000000800002100000000000000000000000000000000000220041000010000000000000000000050000000020400000020000000080100004000000200</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ��������������������!���€���`�������`�������`������@(������@h�������@(�������(�������(�������(�������`������@(������@(�������`������@h�������@(�������`������� ������`�������`������� ������`�������`�������`������@h�������@h�������@(�������h�������@h�������@(�������h������������������h���h��� ��(��� � � � �h����� h� �h���������������������������h���h���h��� ��h���h��� ��h�������� h�B������������ ��� � ��� ������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:42:15Z</structure-indexed-at> </compound>