Molecule Details
| InChIKey | NWAGTUQRZPXSNY-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-[1-Hydroxy-7-(trifluoromethyl)-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide |
| Canonical SMILES | N=C(N)c1ccc(C2Cc3ccc(C(F)(F)F)cc3B(O)O2)cc1OCc1cccnc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.56 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9Y337 | KLK5 | Homo sapiens | Human | PF00089 | 8.9 | IC50 | ChEMBL;BindingDB |
| P03952 | KLKB1 | Homo sapiens | Human | PF00024 PF00089 | 8.0 | IC50 | ChEMBL;BindingDB |
| O60259 | KLK8 | Homo sapiens | Human | PF00089 | 7.6 | IC50 | ChEMBL;BindingDB |
| Q9P0G3 | KLK14 | Homo sapiens | Human | PF00089 | 6.9 | IC50 | ChEMBL;BindingDB |
| P06870 | KLK1 | Homo sapiens | Human | PF00089 | 6.4 | IC50 | ChEMBL;BindingDB |