compound 13B [PMID: 32506913]   Click here for help

GtoPdb Ligand ID: 11077

Compound class: Synthetic organic
Comment: Compound 13B is a potent stereoselective mitofusin activator [1]. It was developed as a potential lead compound for the mitochondrial disorder Charcot-Marie-tooth disease 2A, that is caused by mutation in the MFN2 gene. The activator enhances mitochondrial fusion and improves mitochondrial dynamics. It has a favourable ADME profile and in vivo target engagement is observed.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 49.33
Molecular weight 289.2
XLogP 3.7
No. Lipinski's rules broken 0
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Canonical SMILES O[C@@H]1CC[C@H](CC1)NC(=O)CCCCCc1ccccc1
Isomeric SMILES O[C@@H]1CC[C@H](CC1)NC(=O)CCCCCc1ccccc1
InChI InChI=1S/C18H27NO2/c20-17-13-11-16(12-14-17)19-18(21)10-6-2-5-9-15-7-3-1-4-8-15/h1,3-4,7-8,16-17,20H,2,5-6,9-14H2,(H,19,21)/t16-,17-
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Database Links Click here for help
GtoPdb PubChem SID 434122138
Search Google for chemical match using the InChIKey SUKXKLNDBLNTSW-QAQDUYKDSA-N
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