Molecule Details
| InChIKey | LMNOGGWYIMBHHK-LBPRGKRZSA-N |
|---|---|
| Compound Name | 6-Methyl-5-[(3r)-3-(3,4,5-Trimethoxyphenyl)pent-1-Yn-1-Yl]pyrimidine-2,4-Diamine |
| Canonical SMILES | CC[C@@H](C#Cc1c(C)nc(N)nc1N)c1cc(OC)c(OC)c(OC)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.21 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00374 | DHFR | Homo sapiens | Human | PF00186 | 6.7 | IC50 | BindingDB |
| Q6FPH0 | Candida glabrata (strain ATCC 2001 / BCRC 20586 / JCM 3761 / NBRC 0622 / NRRL Y-65 / CBS 138) | Pathogen | PF00186 | 7.6 | IC50 | BindingDB | |
| P22906 | DFR1 | Candida albicans | Pathogen | PF00186 | 7.3 | IC50 | ChEMBL;BindingDB |