Molecule Details
| InChIKey | VJPPLCNBDLZIFG-ZDUSSCGKSA-N |
|---|---|
| Compound Name | Branebrutinib |
| Canonical SMILES | CC#CC(=O)N[C@H]1CCCN(c2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.36 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB15347 |
|---|---|
| Drug Name | Branebrutinib |
| CAS Number | 1912445-55-6 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Branebrutinib is under investigation in clinical trial NCT02705989 (Safety, Tolerability and Relative Bioavailability Study of BMS-986195 in Healthy Subjects). |
Categories: Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Protein Kinase Inhibitors
Cross-references: BindingDB: 164638 ChemSpider: 64835069
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q06187 | BTK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 9.5 | IC50 | ChEMBL;BindingDB |
| P42680 | TEC | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 9.0 | IC50 | ChEMBL;BindingDB |
| P42681 | TXK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 8.3 | IC50 | ChEMBL;BindingDB |
| P51813 | BMX | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 | 8.2 | IC50 | ChEMBL;BindingDB |
| Q08881 | ITK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 6.8 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q06187 | BTK | Tyrosine-protein kinase BTK | inhibitor | targets |