18731 <common-name>Dasatinib</common-name> <description>Dasatinib is an organic compound with the chemical formula C22H26ClN7O2S and an average molecular weight of 488.01 g/mol. Dasatinib belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. This compound is identified as being found in or released from five recorded sources. These include electrical and electronic equipment, specifically line transmission systems and electric hearing aids, as well as household cleaning and consumer products, including pipe accessories and non-electric simulated smoking devices. Additionally, it is found in healthcare, pharmaceuticals, and veterinary products as an antineoplastic agent. The recorded route of exposure for this substance is oral. Dasatinib acts upon 23 recorded protein targets. It functions as an antagonist, binder, or inhibitor, and is characterized as a multitarget of the proto-oncogene tyrosine-protein kinase Src (SRC), tyrosine-protein kinase ABL1, tyrosine-protein kinase ABL2, and tyrosine-protein kinase Fyn (FYN), along with 19 other proteins.</description> <cas>302962-49-8</cas> <pubchem-id>3062316</pubchem-id> <chemical-formula>C22H26ClN7O2S</chemical-formula> <weight>488</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">2016-05-22T04:30:09Z</created-at> <updated-at type="dateTime">2026-08-21T22:25:15Z</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>DB01254</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>CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1</moldb-smiles> <moldb-formula>C22H26ClN7O2S</moldb-formula> <moldb-inchi>InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)</moldb-inchi> <moldb-inchikey>ZBNZXTGUTAYRHI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">488.006</moldb-average-mass> <moldb-mono-mass type="decimal">487.155721508</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.01</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>2323020</chemspider-id> <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>CHEM017626</chemdb-id> <dsstox-id>DTXSID4040979</dsstox-id> <toxcast-id>40979</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00001968</susdat-id> <iupac>N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide</iupac> <moldb-polar-surface-area>106.51</moldb-polar-surface-area> <moldb-refractivity>133.0762</moldb-refractivity> <moldb-polarizability>51.58477262754872</moldb-polarizability> <moldb-rotatable-bond-count>7</moldb-rotatable-bond-count> <moldb-acceptor-count>8</moldb-acceptor-count> <moldb-donor-count>3</moldb-donor-count> <moldb-pka-strongest-acidic>8.494366296076139</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>7.216567914477272</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>2.77</moldb-alogps-logp> <moldb-alogps-logs>-4.58</moldb-alogps-logs> <moldb-alogps-solubility>1.28e-02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Anilides</subklass> <paper-count type="integer">5820</paper-count> <sync-id>CED0001873</sync-id> <structure-inchikey>ZBNZXTGUTAYRHI-UHFFFAOYSA-N</structure-inchikey> 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