Molecule Details
| InChIKey | DMSRRTGRIHHJKS-HPRDVNIFSA-N |
|---|---|
| Compound Name | 2-[4-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-3-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]sulfonyl-2-methylpropanoic acid |
| Canonical SMILES | [2H]C([2H])([2H])n1cc(-c2cc(S(=O)(=O)C(C)(C)C(=O)O)ccc2N2CCC3(CC2)CC3(F)F)c2cc[nH]c2c1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.1 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P25440 | BRD2 | Homo sapiens | Human | PF17035 PF00439 | 8.5 | IC50 | BindingDB |
| Q15059 | BRD3 | Homo sapiens | Human | PF17035 PF00439 | 8.3 | IC50 | BindingDB |
| O60885 | BRD4 | Homo sapiens | Human | PF17035 PF17105 PF00439 | 7.8 | IC50 | BindingDB |
| Q58F21 | BRDT | Homo sapiens | Human | PF17035 PF17105 PF00439 | 7.7 | IC50 | BindingDB |