Molecule Details
| InChIKey | DGJGWMFHVPDAKM-UHFFFAOYSA-N |
|---|---|
| Compound Name | 5-(3-([1,1'-Biphenyl]-3-yl)prop-1-yn-1-yl)-6-ethylpyrimidine-2,4-diamine |
| Canonical SMILES | CCc1nc(N)nc(N)c1C#CCc1cccc(-c2ccccc2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.03 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00374 | DHFR | Homo sapiens | Human | PF00186 | 6.5 | IC50 | ChEMBL;BindingDB |
| J7IFZ2 | Streptococcus pyogenes | Pathogen | PF00186 | 7.6 | IC50 | ChEMBL;BindingDB | |
| P0A017 | folA | Staphylococcus aureus | Pathogen | PF00186 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q81R22 | dfrA | Bacillus anthracis | Pathogen | PF00186 | 6.4 | Ki | ChEMBL;BindingDB |