Molecule Details
| InChIKey | QUHZSJOJWWZZCP-MWTRTKDXSA-N |
|---|---|
| Compound Name | (2S,4R)-1-[4-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-3-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)phenyl]sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid |
| Canonical SMILES | Cn1cc(-c2cc(S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)O)ccc2N2CCC3(CC2)CC3(F)F)c2c(c1=O)CC=C2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.42 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P25440 | BRD2 | Homo sapiens | Human | PF17035 PF00439 | 6.8 | IC50 | BindingDB |
| Q15059 | BRD3 | Homo sapiens | Human | PF17035 PF00439 | 6.6 | IC50 | BindingDB |
| O60885 | BRD4 | Homo sapiens | Human | PF17035 PF17105 PF00439 | 6.2 | IC50 | BindingDB |
| Q58F21 | BRDT | Homo sapiens | Human | PF17035 PF17105 PF00439 | 6.1 | IC50 | BindingDB |