Molecule Details
| InChIKey | LMLIBNUOIWAJFC-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide |
| Canonical SMILES | CCS(=O)(=O)Nc1cc(-c2cn(C)c3c(=O)[nH]ccc23)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.19 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q58F21 | BRDT | Homo sapiens | Human | PF17035 PF17105 PF00439 | 9.6 | Kd | ChEMBL |
| Q15059 | BRD3 | Homo sapiens | Human | PF17035 PF00439 | 9.5 | Kd | ChEMBL |
| P25440 | BRD2 | Homo sapiens | Human | PF17035 PF00439 | 9.2 | Kd | ChEMBL |
| O60885 | BRD4 | Homo sapiens | Human | PF17035 PF17105 PF00439 | 9.1 | IC50 | ChEMBL;BindingDB |
| P21675 | TAF1 | Homo sapiens | Human | PF00439 PF12157 PF09247 PF15288 | 8.0 | Kd | ChEMBL;BindingDB |
| Q09472 | EP300 | Homo sapiens | Human | PF00439 PF09030 PF08214 PF02172 PF23570 PF06001 PF02135 PF00569 | 7.4 | Kd | ChEMBL;BindingDB |
| Q8IZX4 | TAF1L | Homo sapiens | Human | PF00439 PF12157 PF09247 PF15288 | 7.4 | Kd | ChEMBL |
| Q92793 | CREBBP | Homo sapiens | Human | PF00439 PF09030 PF08214 PF02172 PF23570 PF06001 PF02135 PF00569 | 7.0 | Kd | ChEMBL |
| P55201 | BRPF1 | Homo sapiens | Human | PF00439 PF10513 PF13831 PF00855 PF13832 | 6.4 | Kd | ChEMBL |