Molecule Details
| InChIKey | ATFDKOLABYIYCC-UHFFFAOYSA-N |
|---|---|
| Compound Name | 5-[3-[3-(3,5-Dimethylphenyl)-5-methoxy-phenyl]but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine |
| Canonical SMILES | COc1cc(-c2cc(C)cc(C)c2)cc(C(C)C#Cc2c(C)nc(N)nc2N)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.0 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00374 | DHFR | Homo sapiens | Human | PF00186 | 6.1 | IC50 | ChEMBL |
| P22906 | DFR1 | Candida albicans | Pathogen | PF00186 | 7.8 | IC50 | ChEMBL |
| P0A017 | folA | Staphylococcus aureus | Pathogen | PF00186 | 7.4 | IC50 | ChEMBL |
| J7IFZ2 | Streptococcus pyogenes | Pathogen | PF00186 | 6.7 | IC50 | ChEMBL |