Molecule Details
| InChIKey | KEUUTBKQXWXFLI-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-(5-((2-(2-chloroacetamido)thiazol-4-yl)methyl)-4-(4-chlorobenzamido)-4H-1,2,4-triazol-3-ylthio)acetohydrazide |
| Canonical SMILES | NNC(=O)CSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(=O)c1ccc(Cl)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.57 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 7.4 | IC50 | ChEMBL |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 7.4 | IC50 | ChEMBL;BindingDB |
| O96020 | CCNE2 | Homo sapiens | Human | PF02984 PF00134 | 6.0 | IC50 | ChEMBL |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 6.0 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.0 | IC50 | ChEMBL;BindingDB |