CDN1163   Click here for help

GtoPdb Ligand ID: 12968

Compound class: Synthetic organic
Comment: CDN1163 is an allosteric activator of the sarco/endoplasmic reticulum Ca(2+)-ATPase (SERCA) [1]. It blocks endoplasmic reticulum stress caused by dysregulated SERCA function. CDN1163 has been used to study the role of SERCA2 in intracellular Ca2+ homeostasis and endoplasmic reticulum stress, mitochondrial homeostasis and cell viability [2-4,6].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 50.69
Molecular weight 320.39
XLogP 1.98
No. Lipinski's rules broken 0
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Canonical SMILES CC(C)OC1=CC=C(C=C1)C(=O)NC2=C3C(=CC=C2)C=CC(=N3)C
Isomeric SMILES CC(C)OC1=CC=C(C=C1)C(=O)NC2=C3N=C(C)C=CC3=CC=C2
InChI InChI=1S/C20H20N2O2/c1-13(2)24-17-11-9-16(10-12-17)20(23)22-18-6-4-5-15-8-7-14(3)21-19(15)18/h4-13H,1-3H3,(H,22,23)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Database Links Click here for help
ChEBI CHEBI:150005
ChEMBL Ligand CHEMBL1474314
GtoPdb PubChem SID 485206089
PubChem CID 16016585
Search Google for chemical match using the InChIKey GVGVYDCVFBGALZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GVGVYDCVFBGALZ
UniChem Compound Search for chemical match using the InChIKey GVGVYDCVFBGALZ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey GVGVYDCVFBGALZ-UHFFFAOYSA-N