Molecule Details
| InChIKey | NTVMHTFWSNGDLC-UHFFFAOYSA-N |
|---|---|
| Compound Name | 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine |
| Canonical SMILES | Nc1ncc(Cc2ccc(OCc3ccccc3)cc2)c(N)n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.21 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| B0BL08 | dfrA17 | Escherichia coli | Pathogen | PF00186 | 8.7 | Ki | BindingDB |
| P00382 | dhfrI | Escherichia coli | Pathogen | PF00186 | 6.9 | Ki | ChEMBL;BindingDB |
| P13922 | Plasmodium falciparum (isolate K1 / Thailand) | Pathogen | PF00186 PF00303 | 6.9 | Ki | ChEMBL;BindingDB | |
| P00381 | folA | Lacticaseibacillus casei | Pathogen | PF00186 | 6.3 | Ki | ChEMBL;BindingDB |