Molecule Details
| InChIKey | QIYYNXDEQKBHEH-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-(5-((2-acetamidothiazol-4-yl)methyl)-4-(4-chlorobenzamido)-4H-1,2,4-triazol-3-ylthio)acetohydrazide |
| Canonical SMILES | CC(=O)Nc1nc(Cc2nnc(SCC(=O)NN)n2NC(=O)c2ccc(Cl)cc2)cs1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.58 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 7.1 | IC50 | ChEMBL |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 7.1 | IC50 | ChEMBL;BindingDB |
| O96020 | CCNE2 | Homo sapiens | Human | PF02984 PF00134 | 6.2 | IC50 | ChEMBL |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 6.2 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.2 | IC50 | ChEMBL;BindingDB |