Molecule Details
| InChIKey | OJALZWLVBUFAQK-HHHXNRCGSA-N |
|---|---|
| Compound Name | (2R)-3-methyl-2-[[4-[4-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxymethyl]phenyl]phenyl]sulfonylamino]butanoic acid |
| Canonical SMILES | CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(COc3ccc4c(c3)CCCC4=O)cc2)cc1)C(=O)O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.98 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.7 | IC50 | ChEMBL;BindingDB |
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 8.2 | pIC50 | TTD_MultiTarget |
| O75173 | ADAMTS4 | Homo sapiens | Human | PF17771 PF19236 PF05986 PF01421 PF00090 | 6.6 | IC50 | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 8.4 | pIC50 | TTD_MultiTarget |