Molecule Details
| InChIKey | XHLWYEWXYHRDQW-JOCHJYFZSA-N |
|---|---|
| Compound Name | 4-{(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benzenesulfonyl)-amino]-4-hydroxycarbamoyl-butyryl}-piperazine-1-carboxylic acid ethyl ester |
| Canonical SMILES | CCOC(=O)N1CCN(C(=O)CC[C@H](C(=O)NO)N(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(OC)cc2)CC1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.38 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P22894 | MMP8 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.2 | Ki | ChEMBL;BindingDB |
| P13497 | BMP1 | Homo sapiens | Human | PF01400 PF00431 PF07645 PF14670 | 7.2 | Ki | ChEMBL;BindingDB |
| P03956 | MMP1 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.0 | Ki | ChEMBL;BindingDB |
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.0 | pIC50 | TTD_MultiTarget |