Molecule Details
| InChIKey | ZQVWAERNZDQQOS-UHFFFAOYSA-N |
|---|---|
| Compound Name | 1-[(3-chloro-5-methylphenyl)methyl]-3-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)urea |
| Canonical SMILES | Cc1cc(Cl)cc(CNC(=O)Nc2ccc3c(c2)B(O)OC3)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.57 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 6.6 | Ki | ChEMBL;BindingDB |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 6.2 | Ki | ChEMBL;BindingDB |
| Q6FTL6 | NCE103 | Candida glabrata (strain ATCC 2001 / BCRC 20586 / JCM 3761 / NBRC 0622 / NRRL Y-65 / CBS 138) | Pathogen | PF00484 | 7.1 | Ki | ChEMBL;BindingDB |
| Q3I4V7 | CAN2 | Cryptococcus neoformans | Pathogen | PF00484 | 6.4 | Ki | ChEMBL;BindingDB |