Molecule Details
| InChIKey | RSFXTHIRRXEJJD-NSHDSACASA-N |
|---|---|
| Compound Name | N-({4-[(2-Amino-6-Ethyl-4-Oxo-3,4-Dihydrothieno[2,3-D]pyrimidin-5-Yl)sulfanyl]phenyl}carbonyl)-L-Glutamic Acid |
| Canonical SMILES | CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.48 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (5)
| 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 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q07422 | Toxoplasma gondii | Pathogen | PF00186 PF00303 | 8.7 | IC50 | ChEMBL;BindingDB | |
| C3SWJ7 | thyA | Escherichia coli | Pathogen | PF00303 | 7.8 | IC50 | ChEMBL |
| P0ABQ4 | folA | Escherichia coli (strain K12) | Pathogen | PF00186 | 6.0 | IC50 | ChEMBL;BindingDB |