Molecule Details
| InChIKey | QPLQAMVXCDXOBY-JOCHJYFZSA-N |
|---|---|
| Compound Name | (2R)-2-[[4-[3-[5-[[4-(5-fluoropentyl)triazol-1-yl]methyl]thiophen-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]sulfonylamino]-3-methylbutanoic acid |
| Canonical SMILES | CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2nc(-c3ccc(Cn4cc(CCCCCF)nn4)s3)no2)cc1)C(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.14 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 7.7 | IC50 | ChEMBL |
| P39900 | MMP12 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.5 | IC50 | ChEMBL |
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.4 | IC50 | ChEMBL |
| P22894 | MMP8 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.0 | IC50 | ChEMBL |
| P14780 | MMP9 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 6.0 | IC50 | ChEMBL |