Molecule Details
| InChIKey | QPDXRVRRCIFNSL-HNNXBMFYSA-N |
|---|---|
| Compound Name | (2s)-2-(5-{[(2-Amino-4-Oxo-3,4-Dihydro[1]benzothieno[2,3-D]pyrimidin-5-Yl)methyl]amino}-1-Oxo-1,3-Dihydro-2h-Isoindol-2-Yl)pentanedioic Acid |
| Canonical SMILES | Nc1nc2sc3cccc(CNc4ccc5c(c4)CN([C@@H](CCC(=O)O)C(=O)O)C5=O)c3c2c(=O)[nH]1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.11 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04818 | TYMS | Homo sapiens | Human | PF00303 | 7.5 | IC50 | ChEMBL;BindingDB |
| P00374 | DHFR | Homo sapiens | Human | PF00186 | 7.0 | pIC50 | TTD_MultiTarget |
| Q07422 | Toxoplasma gondii | Pathogen | PF00186 PF00303 | 7.4 | IC50 | ChEMBL;BindingDB | |
| E2QDN0 | thyA | Escherichia coli LF82 | Pathogen | PF00303 | 7.3 | IC50 | ChEMBL;BindingDB |
| P0ABQ4 | folA | Escherichia coli (strain K12) | Pathogen | PF00186 | 6.4 | IC50 | ChEMBL |