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Chemical structure of PERK-IN-6

GC69688

PERK-IN-6

Also known as 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-(6-methyl-2-pyridinyl)ethanone

PERK-IN-6 (Compound 5) is a PERK inhibitor with an IC50 of 2·5 nM

ChemicalCAS1337532-14-5MW398.46FormulaC23H22N6O
CAS number
1337532-14-5
Molecular weight
398.46
Formula
C23H22N6O
InChIKey
VYZYOJULVVGQRS-UHFFFAOYSA-N
Catalogue number
GC69688
Brand
GLPBIO
Computed properties PubChem CID 53468860 · XLogP 2.2 · TPSA 89.9 Ų · H-bond donors 1
XLogP
2.2
TPSA
89.9 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
30

SMILES CC1=NC(=CC=C1)CC(=O)N2CCC3=C2C=CC(=C3)C4=CN(C5=NC=NC(=C45)N)C

Computed descriptors from PubChem (CID 53468860), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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