Molecule Details
| InChIKey | LBQMRSNKEUNXMT-UHFFFAOYSA-N |
|---|---|
| Compound Name | 6-Ethyl-5-[3-(4-Methoxybiphenyl-3-Yl)prop-1-Yn-1-Yl]pyrimidine-2,4-Diamine |
| Canonical SMILES | CCc1nc(N)nc(N)c1C#CCc1cc(-c2ccccc2)ccc1OC |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.44 |
| 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 |
| P0A017 | folA | Staphylococcus aureus | Pathogen | PF00186 | 8.6 | IC50 | ChEMBL;BindingDB |
| J7IFZ2 | Streptococcus pyogenes | Pathogen | PF00186 | 8.2 | IC50 | ChEMBL;BindingDB | |
| Q81R22 | dfrA | Bacillus anthracis | Pathogen | PF00186 | 6.4 | IC50 | ChEMBL |