Molecule Details
| InChIKey | DCCBWHQCASKYJR-NTZARQNWSA-N |
|---|---|
| Compound Name | (2S)-2-[[5-(1,3-dioxoisoindol-2-yl)-2-sulfanylpentanoyl]amino]-4-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide |
| Canonical SMILES | CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCN1C(=O)c2ccccc2C1=O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.44 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P14780 | MMP9 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 8.5 | IC50 | ChEMBL;BindingDB |
| P22894 | MMP8 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.6 | IC50 | ChEMBL;BindingDB |
| P08254 | MMP3 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.3 | IC50 | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 7.4 | pIC50 | TTD_MultiTarget |