Molecule Details
| InChIKey | HXITXNWTGFUOAU-UHFFFAOYSA-N |
|---|---|
| Compound Name | Phenylboronic Acid |
| Canonical SMILES | OB(O)c1ccccc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.9 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01795 |
|---|---|
| Drug Name | Phenylboronic acid |
| CAS Number | 98-80-6 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Acids Acids, Noncarboxylic Boron Compounds
Cross-references: BindingDB: 26996 ChEBI: 44923 CHEMBL21485 ChemSpider: 60191 C16200 PDB: PBC PubChem:66827 PubChem:46508036 Wikipedia: Phenylboronic_acid ZINC: ZINC000169743014
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P23280 | CA6 | Homo sapiens | Human | PF00194 | 9.1 | Ki | ChEMBL |
| P35218 | CA5A | Homo sapiens | Human | PF00194 | 8.3 | Ki | ChEMBL |
| Q9Y2D0 | CA5B | Homo sapiens | Human | PF00194 | 8.3 | Ki | ChEMBL |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.6 | pIC50 | TTD_MultiTarget |
| P22748 | CA4 | Homo sapiens | Human | PF00194 | 6.1 | Ki | ChEMBL;BindingDB |