Molecule Details
| InChIKey | KXEZMFMTEVLUPQ-ZFDPJTLLSA-N |
|---|---|
| Compound Name | (2Z)-3-{2-hydroxy-5-[(1S)-1-hydroxy-3-methylbutyl]-4-methoxyphenyl}prop-2-enoic acid |
| Canonical SMILES | COc1cc(O)c(/C=C\C(=O)O)cc1[C@@H](O)CC(C)C |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.82 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 7.2 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.2 | pIC50 | TTD_MultiTarget |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 7.1 | IC50 | ChEMBL;BindingDB |
| P22748 | CA4 | Homo sapiens | Human | PF00194 | 6.4 | IC50 | ChEMBL;BindingDB |
| Q9ULX7 | CA14 | Homo sapiens | Human | PF00194 | 6.1 | IC50 | ChEMBL;BindingDB |