Brief Information of the Compound and Protein
Compound Name
8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-ynyl-9H-purin-6-amine
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PubChem ID
CID: 448972
SID: 14905552
Canonical SMILES
COc1cc(Cc2nc3c(N)nc(F)nc3n2CCCC#C)c(Cl)c(OC)c1OC
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Compound Formula C20H21ClFN5O3
Compound Structure
Protein Name
Heat shock protein HSP 90-alpha
Protein Classification
Other cytosolic protein
Uniprot ID
P07900
Gene Name
HSP90AA1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000196 MDA-MB-468 Homo sapiens (Human)  1
1
EC50 = 230 nM
   TI
   LI
   LO
   TS
CL000261 SK-BR-3 Homo sapiens (Human)  1
1
EC50 = 170 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 1200 nM