Molecule Details
| InChIKey | NWAGTUQRZPXSNY-LJQANCHMSA-N |
|---|---|
| Compound Name | 4-[(3R)-3,4-Dihydro-1-hydroxy-7-(trifluoromethyl)-1H-2,1-benzoxaborin-3-yl]-2-(3-pyridinylmethoxy)benzenecarboximidamide |
| Canonical SMILES | N=C(N)c1ccc([C@H]2Cc3ccc(C(F)(F)F)cc3B(O)O2)cc1OCc1cccnc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.45 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9Y337 | KLK5 | Homo sapiens | Human | PF00089 | 8.3 | IC50 | ChEMBL;BindingDB |
| O60259 | KLK8 | Homo sapiens | Human | PF00089 | 8.2 | IC50 | ChEMBL;BindingDB |
| P03952 | KLKB1 | Homo sapiens | Human | PF00024 PF00089 | 7.7 | IC50 | ChEMBL;BindingDB |
| Q9P0G3 | KLK14 | Homo sapiens | Human | PF00089 | 7.5 | IC50 | ChEMBL;BindingDB |
| P06870 | KLK1 | Homo sapiens | Human | PF00089 | 6.6 | IC50 | ChEMBL;BindingDB |
| P00742 | F10 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 6.4 | IC50 | ChEMBL;BindingDB |