Molecule Details
| InChIKey | FJNFXXGWYVMQNA-UHFFFAOYSA-N |
|---|---|
| Compound Name | 6-Methyl-5-[3-Methyl-3-(3,4,5-Trimethoxyphenyl)but-1-Yn-1-Yl]pyrimidine-2,4-Diamine |
| Canonical SMILES | COc1cc(C(C)(C)C#Cc2c(C)nc(N)nc2N)cc(OC)c1OC |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.33 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07153 |
|---|---|
| Drug Name | 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50329608 CHEMBL1230365 ChemSpider: 25056715 PDB: 55V PubChem:25187896 PubChem:99443624 ZINC: ZINC000053683841
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00374 | DHFR | Homo sapiens | Human | PF00186 | 6.5 | IC50 | ChEMBL;BindingDB |
| Q6FPH0 | Candida glabrata (strain ATCC 2001 / BCRC 20586 / JCM 3761 / NBRC 0622 / NRRL Y-65 / CBS 138) | Pathogen | PF00186 | 8.0 | IC50 | BindingDB | |
| P22906 | DFR1 | Candida albicans | Pathogen | PF00186 | 7.5 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| A0A0M3KKX1 | A0A0M3KKX1 | Dihydrofolate reductase | binder | targets |