Molecule Details
| InChIKey | ZTMKPXUZAMIYCW-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-(4-(2-Hydroxy-6-(3-hydroxyphenyl)naphthalene-1-yl)phenylamino)-4-oxobutanoic acid |
| Canonical SMILES | O=C(O)CCC(=O)Nc1ccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.02 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P05177 | CYP1A2 | Homo sapiens | Human | PF00067 | 7.8 | IC50 | ChEMBL;BindingDB |
| P14061 | HSD17B1 | Homo sapiens | Human | PF00106 | 7.7 | IC50 | ChEMBL;BindingDB |
| P11712 | CYP2C9 | Homo sapiens | Human | PF00067 | 6.8 | IC50 | ChEMBL;BindingDB |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 6.7 | IC50 | ChEMBL;BindingDB |
| P33261 | CYP2C19 | Homo sapiens | Human | PF00067 | 6.1 | IC50 | ChEMBL;BindingDB |