Molecule Details
| InChIKey | HGMNWCDIIMBGAR-UHFFFAOYSA-N |
|---|---|
| Compound Name | 5-(3-chlorophenyl)-4-oxo-N-[[3-[4-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methylsulfonylmethyl]phenyl]phenyl]methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide |
| Canonical SMILES | O=C(NCc1cccc(-c2ccc(CS(=O)(=O)Cc3n[nH]c(=O)[nH]3)cc2)c1)c1nc2scc(-c3cccc(Cl)c3)c2c(=O)[nH]1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.49 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 9.4 | IC50 | ChEMBL;BindingDB |
| P09238 | MMP10 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.5 | IC50 | ChEMBL;BindingDB |
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 7.1 | IC50 | ChEMBL;BindingDB |
| P22894 | MMP8 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.0 | IC50 | ChEMBL;BindingDB |