Molecule Details
| InChIKey | JOQXWQAZSGUWDV-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-[[4-[(2-amino-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-5-yl)sulfanyl]benzoyl]-carboxyamino]propanoic acid |
| Canonical SMILES | Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(C(=O)N(CCC(=O)O)C(=O)O)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.28 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00374 | DHFR | Homo sapiens | Human | PF00186 | 7.7 | pIC50 | TTD_MultiTarget |
| P04818 | TYMS | Homo sapiens | Human | PF00303 | 7.4 | IC50 | ChEMBL;BindingDB |
| Q07422 | Toxoplasma gondii | Pathogen | PF00186 PF00303 | 7.8 | IC50 | ChEMBL;BindingDB | |
| C3SWJ7 | thyA | Escherichia coli | Pathogen | PF00303 | 7.4 | IC50 | ChEMBL;BindingDB |
| B0BL08 | dfrA17 | Escherichia coli | Pathogen | PF00186 | 6.7 | IC50 | BindingDB |
| P0ABQ4 | folA | Escherichia coli (strain K12) | Pathogen | PF00186 | 6.7 | IC50 | ChEMBL |