1.0 2016-05-22 05:52:42 UTC 2026-08-22 08:48:21 UTC Lapatinib SmallMolecule Lapatinib is an organic compound with the chemical formula C29H26ClFN4O4S. Lapatinib belongs to the benzodiazines, a subclass of diazanaphthalenes within the organic compounds. With an average molecular weight of 581.06 g/mol, Lapatinib is a heavy molecule. This compound acts as an antagonist or inhibitor of three protein targets: the Epidermal growth factor receptor (EGFR), Receptor tyrosine-protein kinase erbB-2 (ERBB2), and Eukaryotic elongation factor 2 kinase (EEF2K). Regarding its presence and application, Lapatinib is found in or released from six recorded sources. These include healthcare, pharmaceuticals, and veterinary products, specifically as antineoplastic agents. Additionally, it is associated with electrical and electronic equipment, such as television systems, line transmission systems, and electric hearing aids, as well as household cleaning and consumer products, including pipe accessories and non-electric simulated smoking devices. The recorded route of exposure for this compound is oral. N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine C29H26ClFN4O4S 581.058 580.134731942 N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine lapatinib 231277-92-2 CS(=O)(=O)CCNCC1=CC=C(O1)C1=CC2=C(C=C1)N=CN=C2NC1=CC(Cl)=C(OCC2=CC(F)=CC=C2)C=C1 InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) BCFGMOOMADDAQU-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Diazanaphthalenes Benzodiazines Quinazolinamines Alkyl aryl ethers Aminopyrimidines and derivatives Aniline and substituted anilines Aralkylamines Aryl chlorides Aryl fluorides Azacyclic compounds Chlorobenzenes Dialkylamines Fluorobenzenes Furans Heteroaromatic compounds Hydrocarbon derivatives Imidolactams Organic oxides Organochlorides Organofluorides Organopnictogen compounds Oxacyclic compounds Phenol ethers Phenoxy compounds Sulfones Alkyl aryl ether Amine Aminopyrimidine Aniline or substituted anilines Aralkylamine Aromatic heteropolycyclic compound Aryl chloride Aryl fluoride Aryl halide Azacycle Benzenoid Chlorobenzene Ether Fluorobenzene Furan Halobenzene Heteroaromatic compound Hydrocarbon derivative Imidolactam Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organofluoride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Oxacycle Phenol ether Phenoxy compound Pyrimidine Quinazolinamine Secondary aliphatic amine Secondary amine Sulfone Sulfonyl Aromatic heteropolycyclic compounds furans organochlorine compound organofluorine compound quinazolines Detected and Not Quantified Lapatinib Action Pathway SMP0126880 Lapatinib Drug Metabolism Action Pathway SMP0143674 Lapatinib Predicted Metabolism Pathway SMP0174867 logp 4.64 logp 5.18 ALOGPS logs -4.42 ALOGPS solubility 2.23e-02 g/l ALOGPS logp 4.64 ChemAxon pka_strongest_acidic 15.99 ChemAxon pka_strongest_basic 7.2 ChemAxon iupac N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine ChemAxon average_mass 581.058 ChemAxon mono_mass 580.134731942 ChemAxon smiles CS(=O)(=O)CCNCC1=CC=C(O1)C1=CC2=C(C=C1)N=CN=C2NC1=CC(Cl)=C(OCC2=CC(F)=CC=C2)C=C1 ChemAxon formula C29H26ClFN4O4S ChemAxon inchi InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) ChemAxon inchikey BCFGMOOMADDAQU-UHFFFAOYSA-N ChemAxon polar_surface_area 106.35 ChemAxon refractivity 152.42 ChemAxon polarizability 61.19 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 7 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7276785830> DB01259 208908 181006 BE0000767 BE0000511 BE0011325