Molecule Details
| InChIKey | HXOGWFKVKCOUQG-UHFFFAOYSA-N |
|---|---|
| Compound Name | methyl 3-[[4-[(dimethylamino)methyl]-1-(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate |
| Canonical SMILES | COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(c3ncnc4[nH]cc(F)c34)CC2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.16 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P53671 | LIMK2 | Homo sapiens | Human | PF00412 PF00595 PF07714 | 8.6 | IC50 | ChEMBL;BindingDB |
| O75116 | ROCK2 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 8.2 | IC50 | ChEMBL;BindingDB |
| P53667 | LIMK1 | Homo sapiens | Human | PF00412 PF00595 PF07714 | 7.7 | IC50 | ChEMBL;BindingDB |