Molecule Details
InChIKeyBCFGMOOMADDAQU-UHFFFAOYSA-N
Compound NameLapatinib
Canonical SMILESCS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)6
Pfam Stratification Cross-Family
Avg pChEMBL6.96
SourceBindingDB;ChEMBL;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB01259
Drug NameLapatinib
CAS Number231277-92-2
Groups approved investigational
ATC Codes L01EH01
DescriptionLapatinib is an anti-cancer drug developed by GlaxoSmithKline (GSK) as a treatment for solid tumours such as breast and lung cancer. It was approved by the FDA on March 13, 2007, for use in patients with advanced metastatic breast cancer in conjunction with the chemotherapy drug capecitabine. Lapati...

Categories: Antineoplastic Agents Antineoplastic and Immunomodulating Agents Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (strength unknown) Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (weak) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Enzyme Inhibitors Hepatotoxic Agents Heterocyclic Compounds, Fused-Ring Human epidermal growth factor receptor 2 (HER2) tyrosine kinase inhibitors Kinase Inhibitor P-glycoprotein inhibitors Potential QTc-Prolonging Agents Protein Kinase Inhibitors QTc Prolonging Agents Quinazolines Tyrosine Kinase Inhibitors
Cross-references: BindingDB: 5445 ChEBI: 49603 CHEMBL554 ChemSpider: 181006 Drugs Product Database (DPD): 20463 D04024 PDB: FMM PharmGKB: PA152241907 PubChem:208908 PubChem:46507141 RxCUI: 480167 Therapeutic Targets Database: DCL000344 Wikipedia: Lapatinib ZINC: ZINC000001550477
Target Activities (6)
Target Gene Organism Category Pfam pChEMBL Type Source
P04626 ERBB2 Homo sapiens Human PF00757 PF14843 PF07714 PF01030 PF21314 8.3 pIC50 TTD_MultiTarget
P00533 EGFR Homo sapiens Human PF00757 PF14843 PF07714 PF01030 PF21314 8.0 IC50 ChEMBL;BindingDB
Q15303 ERBB4 Homo sapiens Human PF00757 PF14843 PF07714 PF01030 PF21314 7.3 IC50 ChEMBL;BindingDB
O00750 PIK3C2B Homo sapiens Human PF00168 PF00454 PF00792 PF00794 PF00613 PF00787 6.2 Kd ChEMBL;BindingDB
Q9UBF8 PI4KB Homo sapiens Human PF00454 PF21245 6.0 Kd ChEMBL;BindingDB
Q12809 KCNH2 Homo sapiens Human PF00027 PF00520 PF13426 6.0 IC50 ChEMBL;BindingDB
DrugBank Target Actions (11)
Target Gene Target Name Action Type
P08684 CYP3A4 Cytochrome P450 3A4 inhibitor enzymes
P10632 CYP2C8 Cytochrome P450 2C8 inhibitor enzymes
P08684 CYP3A4 Cytochrome P450 3A4 substrate enzymes
P10632 CYP2C8 Cytochrome P450 2C8 substrate enzymes
P20815 CYP3A5 Cytochrome P450 3A5 substrate enzymes
P33261 CYP2C19 Cytochrome P450 2C19 substrate enzymes
P00533 EGFR Epidermal growth factor receptor antagonist targets
P04626 ERBB2 Receptor tyrosine-protein kinase erbB-2 antagonist targets
O00418 EEF2K Eukaryotic elongation factor 2 kinase inhibitor targets
P08183 ABCB1 ATP-dependent translocase ABCB1 inhibitor transporters
Q03518 TAP1 Antigen peptide transporter 1 inhibitor transporters