Molecule Details
| InChIKey | NKWHELZNPRCJAS-SFHVURJKSA-N |
|---|---|
| Compound Name | (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-pentyl-2,3-dihydrochromen-4-one |
| Canonical SMILES | CCCCCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.86 |
| 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 | 7.0 | pIC50 | TTD_MultiTarget |
| Q92731 | ESR2 | Homo sapiens | Human | PF12497 PF00104 PF00105 | 7.0 | IC50 | ChEMBL |
| P03372 | ESR1 | Homo sapiens | Human | PF12743 PF00104 PF02159 PF00105 | 6.4 | IC50 | ChEMBL |
| Q96WX4 | erg6 | Pneumocystis carinii (strain B80) | Pathogen | PF08241 PF08498 | 7.0 | pIC50 | TTD_MultiTarget |