Molecule Details
| InChIKey | WHWRHSZXRYNDDO-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-hydroxy-N-(2-hydroxy-1-methyl-ethyl)-5-(4-phenylamino-phenylamino)-isothiazole-4-carboxamidine |
| Canonical SMILES | CC(CO)NC(=N)c1c(O)nsc1Nc1ccc(Nc2ccccc2)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.45 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O96017 | CHEK2 | Homo sapiens | Human | PF00498 PF00069 | 7.1 | IC50 | ChEMBL;BindingDB |
| Q02750 | MAP2K1 | Homo sapiens | Human | PF00069 | 6.6 | IC50 | ChEMBL;BindingDB |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 6.6 | IC50 | ChEMBL;BindingDB |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 6.6 | pIC50 | TTD_MultiTarget |
| P30530 | AXL | Homo sapiens | Human | PF00041 PF13927 PF07714 | 6.4 | IC50 | ChEMBL;BindingDB |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 6.3 | IC50 | ChEMBL;BindingDB |
| P23443 | RPS6KB1 | Homo sapiens | Human | PF00069 PF00433 | 6.0 | IC50 | ChEMBL;BindingDB |
| Q9UBS0 | RPS6KB2 | Homo sapiens | Human | PF00069 PF00433 | 6.0 | IC50 | ChEMBL |