Molecule Details
| InChIKey | VXMYQVUXZGHVKU-HKBQPEDESA-N |
|---|---|
| Compound Name | 1-[1-[(2S)-3-(3-carbamimidoylphenyl)-2-[[3-(2,4-dichlorophenyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]-3-cyclohexylurea |
| Canonical SMILES | N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3Cl)c2)C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.63 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O15393 | TMPRSS2 | Homo sapiens | Human | PF15494 PF00089 | 8.5 | Ki | ChEMBL |
| Q9Y5Y6 | ST14 | Homo sapiens | Human | PF00431 PF00057 PF01390 PF00089 | 8.3 | Ki | ChEMBL |
| P00742 | F10 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 7.7 | Ki | ChEMBL |
| Q8IU80 | TMPRSS6 | Homo sapiens | Human | PF00057 PF01390 PF00089 | 6.0 | Ki | ChEMBL |