Molecule Details
| InChIKey | KGZZMTWCVOBJOB-UHFFFAOYSA-N |
|---|---|
| Compound Name | 6,8-Dihydroxy-2-(4-hydroxyphenyl)-4-(4-methoxyphenyl)isoquinolin-1(2H)-one |
| Canonical SMILES | COc1ccc(-c2cn(-c3ccc(O)cc3)c(=O)c3c(O)cc(O)cc23)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.24 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O95718 | ESRRB | Homo sapiens | Human | PF00104 PF00105 | 9.3 | Ki | BindingDB |
| Q92731 | ESR2 | Homo sapiens | Human | PF12497 PF00104 PF00105 | 9.3 | Ki | ChEMBL;BindingDB |
| P03372 | ESR1 | Homo sapiens | Human | PF12743 PF00104 PF02159 PF00105 | 7.2 | Ki | ChEMBL;BindingDB |
| P11474 | ESRRA | Homo sapiens | Human | PF00104 PF00105 | 7.2 | Ki | ChEMBL;BindingDB |