Molecule Details
| InChIKey | ZRXJDVGAMZQYJX-LBPRGKRZSA-N |
|---|---|
| Compound Name | (S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chromen-2-one |
| Canonical SMILES | COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.17 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 7.3 | Ki | BindingDB |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 7.2 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.2 | pIC50 | TTD_MultiTarget |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 7.1 | Ki | ChEMBL;BindingDB |
| P43166 | CA7 | Homo sapiens | Human | PF00194 | 7.0 | Ki | ChEMBL;BindingDB |