Molecule Details
| InChIKey | ZGBAJMQHJDFTQJ-DEOSSOPVSA-N |
|---|---|
| Compound Name | Bafetinib |
| Canonical SMILES | Cc1ccc(NC(=O)c2ccc(CN3CC[C@H](N(C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 15 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.14 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11851 |
|---|---|
| Drug Name | Bafetinib |
| CAS Number | 859212-16-1 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Bafetinib has been used in trials studying the treatment of Adult Gliosarcoma, Adult Mixed Glioma, Adult Glioblastoma, Chronic Myeloid Leukemia, and Acute Lymphocytic Leukemia, among others. |
Categories: Enzyme Inhibitors Protein Kinase Inhibitors
Cross-references: BindingDB: 50178612 CHEMBL206834 ChemSpider: 9562515 PDB: 406 PubChem:11387605 PubChem:347828193 Wikipedia: Bafetinib ZINC: ZINC000022940637
Target Activities (15)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P11274 | BCR | Homo sapiens | Human | PF09036 PF00168 PF19057 PF00620 PF00621 | 8.0 | IC50 | ChEMBL |
| P42684 | ABL2 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 8.0 | Kd | ChEMBL |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 7.9 | IC50 | ChEMBL;BindingDB |
| Q08345 | DDR1 | Homo sapiens | Human | PF21114 PF00754 PF07714 | 7.8 | Kd | ChEMBL |
| P07948 | LYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.7 | IC50 | ChEMBL;BindingDB |
| Q16644 | MAPKAPK3 | Homo sapiens | Human | PF00069 | 7.6 | Kd | ChEMBL |
| Q16832 | DDR2 | Homo sapiens | Human | PF21114 PF00754 PF07714 | 7.3 | Kd | ChEMBL |
| Q9NYL2 | MAP3K20 | Homo sapiens | Human | PF07714 PF07647 | 7.2 | Kd | ChEMBL |
| P29317 | EPHA2 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF00536 | 7.0 | Kd | ChEMBL |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.5 | Kd | ChEMBL |
| P49137 | MAPKAPK2 | Homo sapiens | Human | PF00069 | 6.5 | Kd | ChEMBL |
| P54756 | EPHA5 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF00536 | 6.5 | Kd | ChEMBL |
| P42685 | FRK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.4 | Kd | ChEMBL |
| Q9Y572 | RIPK3 | Homo sapiens | Human | PF00069 PF12721 | 6.3 | Kd | ChEMBL |
| Q16539 | MAPK14 | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P07948 | LYN | Tyrosine-protein kinase Lyn | modulator | targets |