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
SMILES / InChI / InChIKey
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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-
InChI Key SUKXKLNDBLNTSW-QAQDUYKDSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-(trans-4-Hydroxycyclohexyl)-6-phenylhexanamide
Database Links Click here for help
GtoPdb PubChem SID 434122138
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