Brief Information of the Compound and Protein
Compound Name
6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine
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PubChem ID
CID: 25138225
SID: 57251327
Canonical SMILES
CCc1nc(N)nc(N)c1C#CCc1cc(OC)c(OC)c(OC)c1
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Compound Formula C18H22N4O3
Compound Structure
Protein Name
Dihydrofolate reductase
Protein Classification
Enzyme
>
Oxidoreductase
Uniprot ID
Q81R22
Gene Name
DFRA
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000338 DV3-M15 Mus musculus (Mouse)  1
1
IC50 = 942 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 942 nM
2 Ki = 320 nM