Molecule Details
| InChIKey | JPENSYBRTSIYGO-UHFFFAOYSA-N |
|---|---|
| Compound Name | 5-[3-(3-Methoxy-5-phenyl-phenyl)but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine |
| Canonical SMILES | COc1cc(-c2ccccc2)cc(C(C)C#Cc2c(C)nc(N)nc2N)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.53 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q27552 | DHFR-TS | Cryptosporidium parvum | Pathogen | PF00186 PF00303 | 8.7 | IC50 | ChEMBL;BindingDB |
| Q6FPH0 | Candida glabrata (strain ATCC 2001 / BCRC 20586 / JCM 3761 / NBRC 0622 / NRRL Y-65 / CBS 138) | Pathogen | PF00186 | 8.1 | IC50 | BindingDB | |
| P22906 | DFR1 | Candida albicans | Pathogen | PF00186 | 7.3 | IC50 | ChEMBL;BindingDB |
| P0A017 | folA | Staphylococcus aureus | Pathogen | PF00186 | 7.2 | IC50 | ChEMBL;BindingDB |
| Q81R22 | dfrA | Bacillus anthracis | Pathogen | PF00186 | 6.3 | IC50 | ChEMBL |