Molecule Details
| InChIKey | ALDCXILJAYAUTH-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2,4-Diamino-5-(2-methoxy-5-(4-carboxybutyloxy)benzyl)pyrimidine |
| Canonical SMILES | COc1ccc(OCCCCC(=O)O)cc1Cc1cnc(N)nc1N |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.79 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00374 | DHFR | Homo sapiens | Human | PF00186 | 8.4 | IC50 | BindingDB |
| O30463 | folA | Mycobacterium avium | Pathogen | PF00186 | 8.2 | IC50 | ChEMBL;BindingDB |
| B0BL08 | dfrA17 | Escherichia coli | Pathogen | PF00186 | 7.3 | IC50 | BindingDB |
| P16184 | Pneumocystis carinii | Pathogen | PF00186 | 7.3 | IC50 | ChEMBL;BindingDB |