Molecule Details
| InChIKey | BBUFBPSZYHVWGA-RSKCKNFOSA-N |
|---|---|
| Compound Name | (2E)-2-[(E)-but-2-enylidene]-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]butanediamide |
| Canonical SMILES | C/C=C/C=C(\CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.02 |
| Source | ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P50281 | MMP14 | Homo sapiens | Human | PF11857 PF00045 PF00413 PF01471 | 6.0 | IC50 | ChEMBL |
| P03956 | MMP1 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.0 | IC50 | ChEMBL |
| P14780 | MMP9 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 6.0 | IC50 | ChEMBL |
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.0 | pIC50 | TTD_MultiTarget |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 6.0 | pIC50 | TTD_MultiTarget |