Molecule Details
| InChIKey | MQXAYLIDIPHGSK-ZDUSSCGKSA-N |
|---|---|
| Compound Name | (2S)-2-{[4-({2-amino-6-methyl-4-oxo-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-5-yl}methyl)phenyl]formamido}pentanedioic acid |
| Canonical SMILES | Cc1cc2nc(N)[nH]c(=O)c2n1Cc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.14 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04818 | TYMS | Homo sapiens | Human | PF00303 | 7.3 | IC50 | ChEMBL;BindingDB |
| P00374 | DHFR | Homo sapiens | Human | PF00186 | 6.9 | pIC50 | TTD_MultiTarget |
| C3SWJ7 | thyA | Escherichia coli | Pathogen | PF00303 | 7.2 | IC50 | ChEMBL |
| Q07422 | Toxoplasma gondii | Pathogen | PF00186 PF00303 | 7.1 | IC50 | BindingDB |