Molecule Details
| InChIKey | TXEBNKKOLVBTFK-UHFFFAOYSA-N |
|---|---|
| Compound Name | Blu-9931 |
| Canonical SMILES | C=CC(=O)Nc1cccc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.72 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB17985 |
|---|---|
| Drug Name | BLU-9931 |
| CAS Number | 1538604-68-0 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Acids, Acyclic Acrylates Amides Heterocyclic Compounds, Fused-Ring
Cross-references: BindingDB: 50233461 CHEMBL4068896 ChemSpider: 35000185 ZINC: ZINC000210903069
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P22455 | FGFR4 | Homo sapiens | Human | PF07679 PF13927 PF07714 | 8.2 | IC50 | ChEMBL;BindingDB |
| P22607 | FGFR3 | Homo sapiens | Human | PF21165 PF07679 PF13927 PF07714 | 6.8 | IC50 | ChEMBL;BindingDB |
| P21802 | FGFR2 | Homo sapiens | Human | PF07679 PF13927 PF07714 | 6.3 | IC50 | ChEMBL;BindingDB |
| P11362 | FGFR1 | Homo sapiens | Human | PF07679 PF00047 PF07714 | 6.2 | IC50 | ChEMBL;BindingDB |
| P11712 | CYP2C9 | Homo sapiens | Human | PF00067 | 6.0 | IC50 | ChEMBL;BindingDB |