Molecule Details
| InChIKey | VYQQTWUZKPWPRL-WOJGMQOQSA-N |
|---|---|
| Compound Name | 4-(4-Hydroxyphenyl)-1-naphthaldehyde oxime |
| Canonical SMILES | O/N=C/c1ccc(-c2ccc(O)cc2)c2ccccc12 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.98 |
| Source | ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07150 |
|---|---|
| Drug Name | 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: CHEMBL395308 ChemSpider: 19879373 PDB: 555 PubChem:11357504 PubChem:99443621 ZINC: ZINC000016052260
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 8.3 | pIC50 | TTD_MultiTarget |
| Q92731 | ESR2 | Homo sapiens | Human | PF12497 PF00104 PF00105 | 8.3 | IC50 | ChEMBL |
| P03372 | ESR1 | Homo sapiens | Human | PF12743 PF00104 PF02159 PF00105 | 7.0 | IC50 | ChEMBL |
| Q96WX4 | erg6 | Pneumocystis carinii (strain B80) | Pathogen | PF08241 PF08498 | 8.3 | pIC50 | TTD_MultiTarget |