106406 <common-name>2-(Cyclohexylamino)benzoic acid</common-name> <description>2-(Cyclohexylamino)benzoic acid is an organic compound with the formula C13H17NO2 and an average molecular weight of 219.28 g/mol. 2-(Cyclohexylamino)benzoic acid belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is classified as a benzenoid. Regarding its biological activity, one protein target has been recorded for this compound, as it acts as an inhibitor of Serine/threonine-protein kinase Chk1 (CHEK1).</description> <cas>10286-53-0</cas> <pubchem-id>19826721</pubchem-id> <chemical-formula>C13H17NO2</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">2026-04-05T13:08:13Z</created-at> <updated-at type="dateTime">2026-04-14T16:33:50Z</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>DB07038</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)C1=CC=CC=C1NC1CCCCC1</moldb-smiles> <moldb-formula>C13H17NO2</moldb-formula> <moldb-inchi>InChI=1S/C13H17NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h4-5,8-10,14H,1-3,6-7H2,(H,15,16)</moldb-inchi> <moldb-inchikey>JSXMFCCPQQJLCR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">219.284</moldb-average-mass> <moldb-mono-mass type="decimal">219.1259288</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM102299</chemdb-id> <dsstox-id>DTXSID60600368</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00071651</susdat-id> <iupac nil="true"/> <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">3</paper-count> <sync-id>CED0048631</sync-id> <structure-inchikey>JSXMFCCPQQJLCR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000004000000000800000080000000000002000800000000000000000000000000000020000000000000000000000000000000000000010000000000000000000020000000020000000000000000000000100800010000000000800000000000010080000000000100000080000000000000000000000004000000000000080000000000000001000000000000000000000000000000000004000000000020000000000000008000000000000200000000000000000000000000000040000000200400000000000000000100000000000000</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�� �B�������������� �� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:42:03Z</structure-indexed-at> </compound>