Molecule Details
| InChIKey | OLAHOMJCDNXHFI-UHFFFAOYSA-N |
|---|---|
| Compound Name | Erdafitinib |
| Canonical SMILES | COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.99 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12147 |
|---|---|
| Drug Name | Erdafitinib |
| CAS Number | 1346242-81-6 |
| Groups | approved investigational |
| ATC Codes | L01EN01 |
| Description | In early April of 2019, the US FDA approved Janssen Pharmaceutical Companies' brand name Balversa (erdafitinib) as the first-ever fibroblast growth factor receptor (FGFR) kinase inhibitor indicated for patients with locally advanced or metastatic urothelial carcinoma, with susceptible FGFR3 or FGFR2... |
Categories: Antineoplastic Agents Antineoplastic and Immunomodulating Agents Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (strength unknown) Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitors Heterocyclic Compounds, Fused-Ring Kinase Inhibitor Narrow Therapeutic Index Drugs OCT2 Inhibitors P-glycoprotein inhibitors P-glycoprotein substrates P-glycoprotein substrates with a Narrow Therapeutic Index Protein Kinase Inhibitors Receptors, Fibroblast Growth Factor, antagonists & inhibitors Tumor Suppressor Proteins Tyrosine Kinase Inhibitors
Cross-references: BindingDB: 50525939 CHEMBL3545376 ChemSpider: 35308353 Drugs Product Database (DPD): 23382 PDB: 5SF PubChem:67462786 PubChem:347828443 RxCUI: 2123125 Wikipedia: Erdafitinib ZINC: ZINC000168520308
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P11362 | FGFR1 | Homo sapiens | Human | PF07679 PF00047 PF07714 | 8.9 | IC50 | ChEMBL;BindingDB |
| P21802 | FGFR2 | Homo sapiens | Human | PF07679 PF13927 PF07714 | 8.6 | IC50 | ChEMBL;BindingDB |
| P22607 | FGFR3 | Homo sapiens | Human | PF21165 PF07679 PF13927 PF07714 | 8.5 | IC50 | ChEMBL;BindingDB |
| P22455 | FGFR4 | Homo sapiens | Human | PF07679 PF13927 PF07714 | 8.2 | IC50 | ChEMBL;BindingDB |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 7.4 | IC50 | ChEMBL;BindingDB |
| P41212 | ETV6 | Homo sapiens | Human | PF00178 PF02198 | 6.2 | IC50 | ChEMBL |
DrugBank Target Actions (18)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02763 | P02763 | alpha1-acid glycoprotein | binder | carriers |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inducer | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P11362 | FGFR1 | Fibroblast growth factor receptor 1 | inhibitor | targets |
| P21802 | FGFR2 | Fibroblast growth factor receptor 2 | inhibitor | targets |
| P22455 | FGFR4 | Fibroblast growth factor receptor 4 | inhibitor | targets |
| P22607 | FGFR3 | Fibroblast growth factor receptor 3 | inhibitor | targets |
| P07333 | CSF1R | Macrophage colony-stimulating factor 1 receptor | substrate | targets |
| P07949 | RET | Proto-oncogene tyrosine-protein kinase receptor Ret | substrate | targets |
| P09619 | PDGFRB | Platelet-derived growth factor receptor beta | substrate | targets |
| P10721 | KIT | Mast/stem cell growth factor receptor Kit | substrate | targets |
| P16234 | PDGFRA | Platelet-derived growth factor receptor alpha | substrate | targets |
| P35968 | KDR | Vascular endothelial growth factor receptor 2 | substrate | targets |
| O15244 | SLC22A2 | Solute carrier family 22 member 2 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |