Molecule Details
| InChIKey | JCINBYQJBYJGDM-UHFFFAOYSA-N |
|---|---|
| Compound Name | Bms-911543 |
| Canonical SMILES | CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3cc(C)n(C)n3)nc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.11 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12591 |
|---|---|
| Drug Name | BMS-911543 |
| CAS Number | 1271022-90-2 |
| Groups | investigational |
| ATC Codes | nan |
| Description | BMS-911543 has been used in trials studying the treatment of Cancer. |
Categories: Heterocyclic Compounds, Fused-Ring Janus Kinase 2, antagonists & inhibitors Janus Kinases, antagonists & inhibitors
Cross-references: BindingDB: 50122318 CHEMBL3545215 ChemSpider: 29315033 PDB: 50V PubChem:50922691 PubChem:347828810 ZINC: ZINC000100468481
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 9.0 | IC50 | ChEMBL;BindingDB |
| P29597 | TYK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.2 | IC50 | ChEMBL;BindingDB |
| P23458 | JAK1 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.0 | IC50 | ChEMBL;BindingDB |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.4 | IC50 | ChEMBL;BindingDB |
| P05177 | CYP1A2 | Homo sapiens | Human | PF00067 | 6.0 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O60674 | JAK2 | Tyrosine-protein kinase JAK2 | modulator | targets |