Molecule Details
| InChIKey | BYZYXFWTJXNQDV-DIFFPNOSSA-N |
|---|---|
| Compound Name | (1S,12R)-5-hydroxy-10-methyltetracyclo[10.3.1.0^{1,9}.0^{3,8}]hexadeca-3,5,7,9-tetraen-11-one |
| Canonical SMILES | CC1=C2c3ccc(O)cc3C[C@@]23CCC[C@H](C3)C1=O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.57 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 8.0 | pIC50 | TTD_MultiTarget |
| Q92731 | ESR2 | Homo sapiens | Human | PF12497 PF00104 PF00105 | 8.0 | IC50 | ChEMBL;BindingDB |
| P03372 | ESR1 | Homo sapiens | Human | PF12743 PF00104 PF02159 PF00105 | 6.4 | IC50 | ChEMBL;BindingDB |
| Q96WX4 | erg6 | Pneumocystis carinii (strain B80) | Pathogen | PF08241 PF08498 | 8.0 | pIC50 | TTD_MultiTarget |