Molecule Details
| InChIKey | NYNZQNWKBKUAII-KBXCAEBGSA-N |
|---|---|
| Compound Name | Larotrectinib |
| Canonical SMILES | O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@H](O)C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.92 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB14723 |
|---|---|
| Drug Name | Larotrectinib |
| CAS Number | 1223403-58-4 |
| Groups | approved investigational |
| ATC Codes | L01EX12 |
| Description | Larotrectinib is an orally administered inhibitor of tropomyosin receptor kinase (Trk), a receptor tyrosine kinase activated by neurotrophins which is mutated in a variety of cancer cell types and plays an important role in tumor cell growth and survival.[L49821] Upon administration, larotrectinib b... |
Categories: Antineoplastic Agents Antineoplastic and Immunomodulating Agents BCRP/ABCG2 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Kinase Inhibitor P-glycoprotein substrates Protein Kinase Inhibitors Tropomyosin Receptor Kinases Inhibitors Tyrosine Kinase Inhibitors
Cross-references: BindingDB: 136597 CHEMBL3889654 ChemSpider: 44210503 Drugs Product Database (DPD): 23320 RxCUI: 2105628 Wikipedia: Larotrectinib ZINC: ZINC000118399834
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q16288 | NTRK3 | Homo sapiens | Human | PF07679 PF00047 PF13855 PF16920 PF01462 PF07714 | 8.6 | IC50 | ChEMBL;BindingDB |
| Q16620 | NTRK2 | Homo sapiens | Human | PF07679 PF13855 PF16920 PF01462 PF07714 | 8.6 | IC50 | ChEMBL;BindingDB |
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 8.2 | IC50 | ChEMBL;BindingDB |
| Q07912 | TNK2 | Homo sapiens | Human | PF09027 PF11555 PF07714 PF22931 PF14604 | 6.2 | IC50 | ChEMBL |
DrugBank Target Actions (6)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P04629 | NTRK1 | High affinity nerve growth factor receptor | inhibitor | targets |
| Q16288 | NTRK3 | NT-3 growth factor receptor | inhibitor | targets |
| Q16620 | NTRK2 | BDNF/NT-3 growth factors receptor | inhibitor | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | substrate | transporters |