Molecule Details
| InChIKey | LDBTVAXGKYIFHO-UHFFFAOYSA-N |
|---|---|
| Compound Name | Diaveridine |
| Canonical SMILES | COc1ccc(Cc2cnc(N)nc2N)cc1OC |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.25 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00374 | DHFR | Homo sapiens | Human | PF00186 | 6.3 | IC50 | ChEMBL |
| B0BL08 | dfrA17 | Escherichia coli | Pathogen | PF00186 | 7.7 | Ki | BindingDB |
| Q8Z9J9 | folA | Salmonella typhi | Pathogen | PF00186 | 7.7 | Ki | ChEMBL;BindingDB |
| P13922 | Plasmodium falciparum (isolate K1 / Thailand) | Pathogen | PF00186 PF00303 | 7.3 | Ki | ChEMBL;BindingDB |