Molecule Details
| InChIKey | DMNINFHJFPFPIZ-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-(9-oxa-3,4,6,12-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-5-ylmethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide |
| Canonical SMILES | O=C(NCc1ccccc1C(F)(F)F)c1cccc(NCc2nnc3n2CCOc2cnccc2-3)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.95 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35626 | GRK3 | Homo sapiens | Human | PF00169 PF00069 PF00615 | 9.2 | IC50 | ChEMBL;BindingDB |
| P25098 | GRK2 | Homo sapiens | Human | PF00169 PF00069 PF00615 | 8.7 | IC50 | ChEMBL;BindingDB |
| O75116 | ROCK2 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q15835 | GRK1 | Homo sapiens | Human | PF00069 PF00615 | 6.6 | IC50 | ChEMBL;BindingDB |