Molecule Details
| InChIKey | YLFDUDAILBTVGN-NDEPHWFRSA-N |
|---|---|
| Compound Name | 3-[(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-[[3-(2,4-dimethoxyphenyl)phenyl]sulfonylamino]-3-oxopropyl]benzenecarboximidamide |
| Canonical SMILES | COc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)c(OC)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.87 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O15393 | TMPRSS2 | Homo sapiens | Human | PF15494 PF00089 | 9.0 | Ki | ChEMBL |
| Q9Y5Y6 | ST14 | Homo sapiens | Human | PF00431 PF00057 PF01390 PF00089 | 9.0 | Ki | ChEMBL |
| P00742 | F10 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 7.0 | Ki | ChEMBL |
| Q8IU80 | TMPRSS6 | Homo sapiens | Human | PF00057 PF01390 PF00089 | 6.5 | Ki | ChEMBL |