Molecule Details
| InChIKey | CPMTVMSTJKIGJI-UHFFFAOYSA-N |
|---|---|
| Compound Name | 5-(5-chloro-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-4-(4-chlorophenyl)-2-cyclopropyl-3-(trifluoromethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one |
| Canonical SMILES | Cn1cc(N2C(=O)c3nn(C4CC4)c(C(F)(F)F)c3C2c2ccc(Cl)cc2)cc(Cl)c1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.6 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q15059 | BRD3 | Homo sapiens | Human | PF17035 PF00439 | 6.8 | IC50 | ChEMBL;BindingDB |
| P25440 | BRD2 | Homo sapiens | Human | PF17035 PF00439 | 6.8 | IC50 | ChEMBL;BindingDB |
| O60885 | BRD4 | Homo sapiens | Human | PF17035 PF17105 PF00439 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q92793 | CREBBP | Homo sapiens | Human | PF00439 PF09030 PF08214 PF02172 PF23570 PF06001 PF02135 PF00569 | 6.1 | IC50 | ChEMBL;BindingDB |