Molecule Details
| InChIKey | WMIYIBXBFBOKCT-UTCJRWHESA-N |
|---|---|
| Compound Name | (4Z)-4-(2-Amino-5-oxo-3,5-dihydro-4H-imidazol-4-ylidene)-2,3-dichloro-4,5,6,7-tetrahydropyrrolo[2,3-C]azepin-8(1H)-one |
| Canonical SMILES | NC1=NC(=O)/C(=C2\CCNC(=O)c3[nH]c(Cl)c(Cl)c32)N1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.84 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 7.2 | IC50 | ChEMBL |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 7.2 | IC50 | ChEMBL |
| O95067 | CCNB2 | Homo sapiens | Human | PF02984 PF00134 | 6.7 | IC50 | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 6.7 | IC50 | ChEMBL |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 6.7 | IC50 | ChEMBL |
| Q8WWL7 | CCNB3 | Homo sapiens | Human | PF02984 PF00134 | 6.7 | IC50 | ChEMBL |