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Chemical structure of GSK8814

GC60184

GSK8814

Also known as 8-[[(3R,4R,5S)-3-[(4,4-difluorocyclohexyl)methoxy]-5-methoxypiperidin-4-yl]amino]-3-methyl-5-(5-methyl-3-pyridinyl)-1H-1,7-naphthyridin-2-one

GSK8814 is a potent, selective, and ATAD2/2B bromodomain chemical probe and inhibitor, with a binding constant pKd=8·1 and a pKi=8·9 in BROMOscan· GSK8814 binds to ATAD2 and BRD4 BD1 with pIC50s of 7·3 and 4·6, respectively· GSK8814 shows 500-fold selectivity for ATAD2 over BRD4 BD1

ChemicalCAS1997369-78-4MW527.61FormulaC28H35F2N5O3
CAS number
1997369-78-4
Molecular weight
527.61
Formula
C28H35F2N5O3
InChIKey
YDPMMWAOCCOULO-JBRSBNLGSA-N
Catalogue number
GC60184
Brand
GLPBIO
Computed properties PubChem CID 121499171 · XLogP 3.3 · TPSA 97.4 Ų · H-bond donors 3
XLogP
3.3
TPSA
97.4 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
38

SMILES CC1=CC(=CN=C1)C2=CN=C(C3=C2C=C(C(=O)N3)C)N[C@@H]4[C@H](CNC[C@H]4OCC5CCC(CC5)(F)F)OC

Computed descriptors from PubChem (CID 121499171), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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