Molecule Details
| InChIKey | SIUIQMQVKUUQQF-UHFFFAOYSA-N |
|---|---|
| Compound Name | 1-[5-Tert-Butyl-3-({4-[2-(Dimethylamino)ethyl]-5-Oxo-1,4-Diazepan-1-Yl}carbonyl)thiophen-2-Yl]-3-(2,3-Dichlorophenyl)urea |
| Canonical SMILES | CN(C)CCN1CCN(C(=O)c2cc(C(C)(C)C)sc2NC(=O)Nc2cccc(Cl)c2Cl)CCC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.31 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O15264 | MAPK13 | Homo sapiens | Human | PF00069 | 7.7 | IC50 | ChEMBL |
| P53778 | MAPK12 | Homo sapiens | Human | PF00069 | 7.7 | IC50 | ChEMBL |
| Q16539 | MAPK14 | Homo sapiens | Human | PF00069 | 7.7 | IC50 | ChEMBL;BindingDB |
| Q15759 | MAPK11 | Homo sapiens | Human | PF00069 | 7.3 | IC50 | ChEMBL;BindingDB |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 6.3 | IC50 | ChEMBL;BindingDB |