Molecule Details
| InChIKey | RTSLKKUJJKXEJT-ZCNNSNEGSA-N |
|---|---|
| Compound Name | (8S,9R,12S)-9-Isobutyl-12-methylcarbamoyl-10-oxo-2-oxa-11-aza-bicyclo[12.2.2]octadeca-1(17),14(18),15-triene-8-carboxylic acid |
| Canonical SMILES | CNC(=O)[C@@H]1Cc2ccc(cc2)OCCCCC[C@H](C(=O)O)[C@@H](CC(C)C)C(=O)N1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.09 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 7.1 | pIC50 | TTD_MultiTarget |
| P08254 | MMP3 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.1 | IC50 | ChEMBL;BindingDB |
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.1 | pIC50 | TTD_MultiTarget |
| P09237 | MMP7 | Homo sapiens | Human | PF00413 PF01471 | 7.0 | IC50 | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 7.1 | pIC50 | TTD_MultiTarget |