Molecule Details
| InChIKey | JQPNVLABZWBWEL-UHFFFAOYSA-N |
|---|---|
| Compound Name | 5-[3-(3-Methoxy-5-morpholin-4-ylphenyl)but-1-ynyl]-6-methylpyrimidine-2,4-diamine |
| Canonical SMILES | COc1cc(C(C)C#Cc2c(C)nc(N)nc2N)cc(N2CCOCC2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.3 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00374 | DHFR | Homo sapiens | Human | PF00186 | 6.4 | IC50 | ChEMBL;BindingDB |
| P22906 | DFR1 | Candida albicans | Pathogen | PF00186 | 7.7 | IC50 | ChEMBL;BindingDB |
| J7IFZ2 | Streptococcus pyogenes | Pathogen | PF00186 | 7.6 | IC50 | ChEMBL;BindingDB | |
| P0A017 | folA | Staphylococcus aureus | Pathogen | PF00186 | 7.5 | IC50 | ChEMBL;BindingDB |