Molecule Details
| InChIKey | XJXOQXSHVJMJAL-HDMKZQKVSA-N |
|---|---|
| Compound Name | rel-(3aR,4S,9bS)-1,2,3,3a,4,9b-Hexahydro-4-phenylcyclopenta[c][1]benzopyran-8-ol |
| Canonical SMILES | Oc1ccc2c(c1)[C@H]1CCC[C@H]1[C@@H](c1ccccc1)O2 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.11 |
| Source | ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.3 | pIC50 | TTD_MultiTarget |
| Q92731 | ESR2 | Homo sapiens | Human | PF12497 PF00104 PF00105 | 7.3 | Ki | ChEMBL |
| P03372 | ESR1 | Homo sapiens | Human | PF12743 PF00104 PF02159 PF00105 | 6.6 | Ki | ChEMBL |
| Q96WX4 | erg6 | Pneumocystis carinii (strain B80) | Pathogen | PF08241 PF08498 | 7.3 | pIC50 | TTD_MultiTarget |