Molecule Details
| InChIKey | HZTFNSCZLJLPEO-UHFFFAOYSA-N |
|---|---|
| Compound Name | N6-(2,5-Dimethoxy-Benzyl)-N6-Methyl-Pyrido[2,3-D]Pyrimidine-2,4,6-Triamine |
| Canonical SMILES | COc1ccc(OC)c(CN(C)c2cnc3nc(N)nc(N)c3c2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.54 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB02583 |
|---|---|
| Drug Name | N6-(2,5-Dimethoxy-Benzyl)-N6-Methyl-Pyrido[2,3-D]Pyrimidine-2,4,6-Triamine |
| CAS Number | 175354-76-4 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50051913 CHEMBL32113 ChemSpider: 392497 PDB: PRD PubChem:444617 PubChem:46508317
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00374 | DHFR | Homo sapiens | Human | PF00186 | 7.6 | IC50 | ChEMBL;BindingDB |
| Q07422 | Toxoplasma gondii | Pathogen | PF00186 PF00303 | 8.2 | IC50 | ChEMBL;BindingDB | |
| P00381 | folA | Lacticaseibacillus casei | Pathogen | PF00186 | 7.5 | IC50 | ChEMBL;BindingDB |
| B0BL08 | dfrA17 | Escherichia coli | Pathogen | PF00186 | 6.8 | IC50 | BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P00374 | DHFR | Dihydrofolate reductase | binder | targets |