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Chemical structure of LY2606368

GC15663

LY2606368

Also known as 5-[[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

LY2606368, an ATP-competitive CHK1 inhibitor, is currently in the clinical stage with a Ki of 0·9 nM and an IC50 of <1 nM· LY2606368 inhibits CHK2 (IC50=8 nM) and RSK1 (IC50=9 nM)

ChemicalCAS1234015-52-1MW365.39FormulaC18H19N7O2
CAS number
1234015-52-1
Molecular weight
365.39
Formula
C18H19N7O2
Solubility
＜0·73mg/mL in DMSO
InChIKey
DOTGPNHGTYJDEP-UHFFFAOYSA-N
Catalogue number
GC15663
Brand
GLPBIO
Computed properties PubChem CID 46700756 · XLogP 1.4 · TPSA 135 Ų · H-bond donors 3
XLogP
1.4
TPSA
135 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
27

SMILES COC1=C(C(=CC=C1)OCCCN)C2=CC(=NN2)NC3=NC=C(N=C3)C#N

Computed descriptors from PubChem (CID 46700756), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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