Molecule Details
| InChIKey | HJGBKSHYCKEJGU-LJAQVGFWSA-N |
|---|---|
| Compound Name | 1-[2-[1-[(2S)-3-(3-carbamimidoylphenyl)-2-[[3-(2,4-dimethoxyphenyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]ethyl]-3-methylurea |
| Canonical SMILES | CNC(=O)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3ccc(OC)cc3OC)c2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.82 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9Y5Y6 | ST14 | Homo sapiens | Human | PF00431 PF00057 PF01390 PF00089 | 8.7 | Ki | ChEMBL |
| O15393 | TMPRSS2 | Homo sapiens | Human | PF15494 PF00089 | 8.5 | Ki | ChEMBL |
| P00742 | F10 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 7.3 | Ki | ChEMBL |
| Q8IU80 | TMPRSS6 | Homo sapiens | Human | PF00057 PF01390 PF00089 | 6.8 | Ki | ChEMBL |