Molecule Details
| InChIKey | KKRBZYCHOUTMBU-UHFFFAOYSA-N |
|---|---|
| Compound Name | (1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-carbamoyl-2-(1H-indol-3-yl)-ethylcarbamoyl]-3-(4-methoxy-benzylsulfanyl)-propyl]-phosphinic acid |
| Canonical SMILES | COc1ccc(CSCC(CP(=O)(O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(N)=O)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.39 |
| 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 | 9.2 | Ki | ChEMBL;BindingDB |
| P14780 | MMP9 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 8.5 | Ki | ChEMBL;BindingDB |
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 8.2 | pIC50 | TTD_MultiTarget |
| P50281 | MMP14 | Homo sapiens | Human | PF11857 PF00045 PF00413 PF01471 | 7.7 | Ki | ChEMBL;BindingDB |