Molecule Details
| InChIKey | ATBAETXFFCOZOY-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-(2-amino-5-oxo-1H-imidazol-4-ylidene)-2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one |
| Canonical SMILES | NC1=NC(=O)C(=C2CCNC(=O)c3[nH]c(Br)cc32)N1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 10 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.41 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (10)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P28482 | MAPK1 | Homo sapiens | Human | PF00069 | 8.2 | IC50 | BindingDB |
| Q02750 | MAP2K1 | Homo sapiens | Human | PF00069 | 8.2 | IC50 | BindingDB |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 8.0 | IC50 | ChEMBL;BindingDB |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 7.7 | IC50 | BindingDB |
| P48730 | CSNK1D | Homo sapiens | Human | PF00069 | 7.5 | IC50 | BindingDB |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 7.4 | IC50 | ChEMBL;BindingDB |
| O96017 | CHEK2 | Homo sapiens | Human | PF00498 PF00069 | 7.4 | IC50 | BindingDB |
| Q99683 | MAP3K5 | Homo sapiens | Human | PF19039 PF20309 PF20302 PF13281 PF00069 | 6.8 | IC50 | BindingDB |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL |
| P17252 | PRKCA | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.2 | IC50 | BindingDB |