Molecule Details
| InChIKey | JIYPVUCBRQNICX-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-(3-Cyclopropyl-1-methyl-1H-pyrazol-5-yl)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido(4,5-b)indol-4-amine |
| Canonical SMILES | COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(C4CC4)nn3C)c12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.04 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q15059 | BRD3 | Homo sapiens | Human | PF17035 PF00439 | 9.3 | Kd | ChEMBL;BindingDB |
| P25440 | BRD2 | Homo sapiens | Human | PF17035 PF00439 | 9.1 | Kd | ChEMBL;BindingDB |
| O60885 | BRD4 | Homo sapiens | Human | PF17035 PF17105 PF00439 | 8.7 | Kd | ChEMBL;BindingDB |
| Q58F21 | BRDT | Homo sapiens | Human | PF17035 PF17105 PF00439 | 8.7 | Kd | ChEMBL;BindingDB |
| Q92793 | CREBBP | Homo sapiens | Human | PF00439 PF09030 PF08214 PF02172 PF23570 PF06001 PF02135 PF00569 | 7.3 | Kd | ChEMBL;BindingDB |
| Q09472 | EP300 | Homo sapiens | Human | PF00439 PF09030 PF08214 PF02172 PF23570 PF06001 PF02135 PF00569 | 7.0 | Kd | ChEMBL;BindingDB |
| Q9BXF3 | CECR2 | Homo sapiens | Human | PF00439 | 6.2 | Kd | ChEMBL;BindingDB |