Molecule Details
| InChIKey | LCGSYJVWLGYWTD-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-(6-Hydroxy-naphthalen-2-YL)-benzo[D]isooxazol-6-OL |
| Canonical SMILES | Oc1ccc2cc(-c3noc4cc(O)ccc34)ccc2c1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.74 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07236 |
|---|---|
| Drug Name | 3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-OL |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50154137 CHEMBL187105 ChemSpider: 11315018 PDB: 797 PubChem:4369551 PubChem:99443707 ZINC: ZINC000013583568
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 9.0 | pIC50 | TTD_MultiTarget |
| Q92731 | ESR2 | Homo sapiens | Human | PF12497 PF00104 PF00105 | 8.8 | IC50 | ChEMBL;BindingDB |
| P03372 | ESR1 | Homo sapiens | Human | PF12743 PF00104 PF02159 PF00105 | 8.1 | IC50 | ChEMBL;BindingDB |
| Q96WX4 | erg6 | Pneumocystis carinii (strain B80) | Pathogen | PF08241 PF08498 | 9.0 | pIC50 | TTD_MultiTarget |