1.0 2016-05-22 04:30:09 UTC 2026-08-21 22:25:15 UTC Dasatinib SmallMolecule 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. C22H26ClN7O2S 488.006 487.155721508 N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide dasatinib 302962-49-8 CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1 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) ZBNZXTGUTAYRHI-UHFFFAOYSA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Alpha amino acid amides Amphetamines and derivatives Carbonyl compounds Hydrocarbon derivatives Monoalkylamines N-acyl amines Organic oxides Organopnictogen compounds Phenylpropanes Secondary carboxylic acid amides Alpha-amino acid amide Amine Amphetamine or derivatives Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxamide group Fatty acyl Fatty amide Hydrocarbon derivative Monocyclic benzene moiety N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylpropane Primary aliphatic amine Primary amine Secondary carboxylic acid amide Aromatic homomonocyclic compounds Detected and Not Quantified Dasatinib Inhibition of BCR-ABL Action Pathway SMP0031696 Dasatinib Drug Metabolism Action Pathway SMP0143671 logp 4.01 logp 2.77 ALOGPS logs -4.58 ALOGPS solubility 1.28e-02 g/l ALOGPS logp 3.82 ChemAxon pka_strongest_acidic 8.49 ChemAxon pka_strongest_basic 7.22 ChemAxon iupac N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide ChemAxon average_mass 488.006 ChemAxon mono_mass 487.155721508 ChemAxon smiles CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1 ChemAxon formula C22H26ClN7O2S ChemAxon 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) ChemAxon inchikey ZBNZXTGUTAYRHI-UHFFFAOYSA-N ChemAxon polar_surface_area 106.51 ChemAxon refractivity 133.08 ChemAxon polarizability 51.58 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 8 ChemAxon donor_count 3 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7262bf5820> DB01254 3062316 2323020 BE0000014 BE0000435 BE0000838 BE0000839 BE0000842 BE0000840 BE0000453 BE0000205 BE0000841 BE0000891 BE0001284 BE0008998 BE0004743 BE0001356 BE0005587 BE0002453 BE0005539 BE0004742 BE0003775 BE0004315 BE0005595 BE0001019 BE0000374