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Chemical structure of GMX1778 (CHS828)

GC14815

GMX1778 (CHS828)

Also known as 2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-pyridin-4-ylguanidine

GMX1778 (CHS828) (GMX1778) is a competitive inhibitor of nicotinamide phosphoribosyltransferase (NAMPT), with an IC50 less than 25 nM· GMX1778 (CHS828) (GMX1778) exerts a cytotoxic effect by decreasing the cellular level of NAD+ and exhibits a potent anticancer activity

ChemicalCAS200484-11-3MW371.86FormulaC19H22ClN5O
CAS number
200484-11-3
Molecular weight
371.86
Formula
C19H22ClN5O
Solubility
≥ 18·3mg/mL in DMSO
InChIKey
BOIPLTNGIAPDBY-UHFFFAOYSA-N
Catalogue number
GC14815
Brand
GLPBIO
Computed properties PubChem CID 148198 · XLogP 4.3 · TPSA 82.3 Ų · H-bond donors 2
XLogP
4.3
TPSA
82.3 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
11
Heavy atoms
26

SMILES C1=CC(=CC=C1OCCCCCCN=C(NC#N)NC2=CC=NC=C2)Cl

Computed descriptors from PubChem (CID 148198), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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