Molecule Details
| InChIKey | KJUQRHGKOLRTFD-HMEKMZBJSA-N |
|---|---|
| Compound Name | (2R)-2-[(4S)-4-hydroxycyclohex-2-en-1-yl]-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]acetic acid |
| Canonical SMILES | COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)O)C3C=C[C@@H](O)CC3)cc2)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.22 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 7.7 | pIC50 | TTD_MultiTarget |
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.8 | IC50 | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 7.2 | pIC50 | TTD_MultiTarget |