Molecule Details
| InChIKey | ATSZLVKWSVRBLA-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-(1-Hydroxy-8-methyl-3,4-dihydro-2,1-benzoxaborinin-3-yl)-2-(pyridin-3-ylmethoxy)benzenecarboximidamide |
| Canonical SMILES | Cc1cccc2c1B(O)OC(c1ccc(C(=N)N)c(OCc3cccnc3)c1)C2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.8 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9Y337 | KLK5 | Homo sapiens | Human | PF00089 | 7.6 | IC50 | ChEMBL;BindingDB |
| P03952 | KLKB1 | Homo sapiens | Human | PF00024 PF00089 | 7.1 | IC50 | ChEMBL;BindingDB |
| Q9P0G3 | KLK14 | Homo sapiens | Human | PF00089 | 6.4 | IC50 | ChEMBL;BindingDB |
| P08246 | ELANE | Homo sapiens | Human | PF00089 | 6.1 | IC50 | ChEMBL;BindingDB |