GSK-LSD1   Click here for help

GtoPdb Ligand ID: 8241

Compound class: Synthetic organic
Comment: GSK-LSD1 is a potent, selective and irreversible inhibitor of lysine specific demethylase 1 (LSD1; gene symbol KDM1A) [1]. The compound was developed by GlaxoSmithKline and has been made available for inclusion in the portfolio of compounds held by the Structural Genomics Consortium (SGC) in their Epigenetics Probes Collection.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 24.06
Molecular weight 216.16
XLogP 1.9
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES N1CCC(CC1)NC1CC1c1ccccc1
Isomeric SMILES N1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
InChI InChI=1S/C14H20N2/c1-2-4-11(5-3-1)13-10-14(13)16-12-6-8-15-9-7-12/h1-5,12-16H,6-10H2/t13-,14+/m0/s1
InChI Key BASFYRLYJAZPPL-UONOGXRCSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
Database Links Click here for help
GtoPdb PubChem SID 249565921
PubChem CID 71522234
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