1.0 2016-05-25 18:21:38 UTC 2026-08-22 08:59:28 UTC Imatinib SmallMolecule Imatinib is an organic compound with the formula C29H31N7O and an average molecular weight of 493.60 g/mol. Imatinib belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. This compound acts as an antagonist, inhibitor, or unknown modulator for ten recorded protein targets, including Tyrosine-protein kinase ABL1, Platelet-derived growth factor receptor beta (PDGFRB), Proto-oncogene tyrosine-protein kinase receptor Ret (RET), and Mast/stem cell growth factor receptor Kit (KIT). In clinical applications, imatinib is used as a treatment for leukemia (PMC9565840), cancer (PMC6052860, PMC7609673), and glioblastoma (PMC7226512). Specifically, it is used to treat acute lymphoblastic leukemia (PMC4012724) and chronic myeloid leukemia (PMC4243416, PMC4512945, PMC7527863), with the latter also being associated with the compound (PMC8487861) and showing a therapeutic effect (PMC9368267). Additionally, it has a therapeutic effect on pancreatic cancer (PMC8122931). Imatinib has been found in or released from 28 recorded sources. These include aquatic systems and sediments such as seawater, freshwater, groundwater, and surface water; drinking water and water supply sources including bottled, tap, desalinated, and drinking water; and wastewater, sanitation, and biosolids, including industrial wastewater, mine wastewater, wastewater treatment effluent, and unspecified wastewater. It is also found in appliances, HVAC, and refrigerants such as water heaters and water coolers; household cleaning and consumer products including tobacco pipes, tobacco smoke filters, and non-electric simulated smoking devices; and electrical and electronic equipment, including electrodes, fixed capacitors and their manufacture, electrically stimulated smoking devices, and conductors or conductive bodies characterised by the conductive materials, as well as 6 more sectors. Recorded exposure routes include touch, oral, and inhalation. PMT C29H31N7O 493.6027 493.259008649 N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide imatinib 152459-95-5 CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)CC1 InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34) KTUFNOKKBVMGRW-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Azolidines Oxazolidines Oxazolidinediones Azacyclic compounds Carbamate esters Carbonyl compounds Dicarboximides Hydrocarbon derivatives Organic carbonic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Aliphatic heteromonocyclic compound Azacycle Carbamic acid ester Carbonic acid derivative Carbonyl group Carboxylic acid derivative Dicarboximide Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxazolidinedione Aliphatic heteromonocyclic compounds oxazolidinone Detected and Not Quantified Imatinib Inhibition of BCR-ABL SMP0031694 Imatinib Drug Metabolism Action Pathway SMP0143065 logp 4.38 logp 3.47 ALOGPS logs -4.53 ALOGPS solubility 1.46e-02 g/l ALOGPS logp 4.38 ChemAxon pka_strongest_acidic 12.45 ChemAxon pka_strongest_basic 8.27 ChemAxon iupac N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide ChemAxon average_mass 493.6027 ChemAxon mono_mass 493.259008649 ChemAxon smiles CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)CC1 ChemAxon formula C29H31N7O ChemAxon inchi InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34) ChemAxon inchikey KTUFNOKKBVMGRW-UHFFFAOYSA-N ChemAxon polar_surface_area 86.28 ChemAxon refractivity 148.93 ChemAxon polarizability 55.54 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 7 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72676214a8> DB00619 5291 5101 BE0000205 BE0000014 BE0000453 BE0002411 BE0000853 BE0000852 BE0001124 BE0004743 BE0004741 BE0003511