Molecule Details
| InChIKey | DDNUPTARUMYNAL-UHFFFAOYSA-N |
|---|---|
| Compound Name | N6-methyl-N6-[(2,3,4-trimethoxyphenyl)methyl]quinazoline-2,4,6-triamine |
| Canonical SMILES | COc1ccc(CN(C)c2ccc3nc(N)nc(N)c3c2)c(OC)c1OC |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.75 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00374 | DHFR | Homo sapiens | Human | PF00186 | 7.1 | IC50 | ChEMBL;BindingDB |
| B0BL08 | dfrA17 | Escherichia coli | Pathogen | PF00186 | 8.1 | IC50 | BindingDB |
| P0ABQ4 | folA | Escherichia coli (strain K12) | Pathogen | PF00186 | 8.1 | IC50 | ChEMBL |
| Q07422 | Toxoplasma gondii | Pathogen | PF00186 PF00303 | 7.8 | IC50 | ChEMBL;BindingDB |