Molecule Details
| InChIKey | DADASRPKWOGKCU-FVTQAUBDSA-N |
|---|---|
| Compound Name | CFI-400945 free base |
| Canonical SMILES | COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5C[C@@H](C)O[C@@H](C)C5)cc4)n[nH]c3c1)C(=O)N2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.36 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB18746 |
|---|---|
| Drug Name | Ocifisertib |
| CAS Number | 1338806-73-7 |
| Groups | investigational |
| ATC Codes | nan |
| Description | nan |
Categories: Heterocyclic Compounds, Fused-Ring Pyrazoles
Cross-references: CHEMBL3408947 ChemSpider: 34979947 ZINC: ZINC000145048061
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O00444 | PLK4 | Homo sapiens | Human | PF00069 PF18190 PF18409 | 8.6 | IC50 | ChEMBL;BindingDB |
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 8.2 | IC50 | ChEMBL;BindingDB |
| Q16620 | NTRK2 | Homo sapiens | Human | PF07679 PF13855 PF16920 PF01462 PF07714 | 8.1 | IC50 | ChEMBL;BindingDB |
| Q02763 | TEK | Homo sapiens | Human | PF00041 PF10430 PF07714 | 7.7 | IC50 | ChEMBL;BindingDB |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 7.6 | IC50 | ChEMBL;BindingDB |
| Q9NQS7 | INCENP | Homo sapiens | Human | PF03941 PF12178 | 7.0 | IC50 | ChEMBL |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL;BindingDB |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 6.3 | IC50 | ChEMBL;BindingDB |
| P11712 | CYP2C9 | Homo sapiens | Human | PF00067 | 6.0 | IC50 | ChEMBL;BindingDB |