Molecule Details
| InChIKey | LSEXYAQECWMUPY-QGZVFWFLSA-N |
|---|---|
| Compound Name | (R)-N-(1-cyanoethyl)-3-(5-(4-((tetrahydro-2H-pyran-4-ylamino)methyl)phenyl)isoxazol-3-yl)benzamide |
| Canonical SMILES | C[C@H](C#N)NC(=O)c1cccc(-c2cc(-c3ccc(CNC4CCOCC4)cc3)on2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.78 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q15139 | PRKD1 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 8.3 | IC50 | ChEMBL;BindingDB |
| O94806 | PRKD3 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q9BZL6 | PRKD2 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 7.3 | IC50 | ChEMBL;BindingDB |