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Chemical structure of GSK126

GC15783

GSK126

Also known as 1-[(2S)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide

GSK126 (GSK2816126A, GSK2816126) is a highly selective EZH2 methyltransferase inhibitor with IC50 12·6-17·4nM in vitro (MM cells), and IC50 9·9nM in vivo (Male *ApoE-/-* mice)

ChemicalCAS1346574-57-9MW526.67FormulaC31H38N6O2
CAS number
1346574-57-9
Molecular weight
526.67
Formula
C31H38N6O2
Solubility
≥ 3·29 mg/mL in DMSO, ＜2·4 mg/mL in EtOH, ＜2·27 mg/mL in Water
InChIKey
FKSFKBQGSFSOSM-QFIPXVFZSA-N
Catalogue number
GC15783
Brand
GLPBIO
Computed properties PubChem CID 68210102 · XLogP 3.9 · TPSA 91.3 Ų · H-bond donors 3
XLogP
3.9
TPSA
91.3 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
39

SMILES CC[C@H](C)N1C=C(C2=C(C=C(C=C21)C3=CN=C(C=C3)N4CCNCC4)C(=O)NCC5=C(C=C(NC5=O)C)C)C

Computed descriptors from PubChem (CID 68210102), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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