Molecule Details
| InChIKey | GCDLAOPKRFVDHQ-UHFFFAOYSA-N |
|---|---|
| Compound Name | 5-[3-(3,4-Dimethoxy-5-pyridin-4-ylphenyl)prop-1-ynyl]-6-ethylpyrimidine-2,4-diamine |
| Canonical SMILES | CCc1nc(N)nc(N)c1C#CCc1cc(OC)c(OC)c(-c2ccncc2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.08 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P0A017 | folA | Staphylococcus aureus | Pathogen | PF00186 | 7.9 | Ki | ChEMBL;BindingDB |
| C7C2U7 | dfrK | Staphylococcus aureus (strain MRSA ST398 / isolate S0385) | Pathogen | PF00186 | 7.7 | IC50 | BindingDB |
| P13955 | dfrA | Staphylococcus aureus | Pathogen | PF00186 | 6.4 | IC50 | BindingDB |
| Q4H3Y3 | dfrG | Staphylococcus aureus | Pathogen | PF00186 | 6.3 | IC50 | BindingDB |