RN-1

Ligand id: 8980

Name: RN-1

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 44.81
Molecular weight 379.23
XLogP 3.94
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-{[(1R,2S)-2-[4-(benzyloxy)phenyl]cyclopropyl]amino}-1-(4-methylpiperazin-1-yl)ethan-1-one
Database Links
PubChem CID 45376076
Search Google for chemical match using the InChIKey YAMSXCOVJUUMCT-FCHUYYIVSA-N
Search Google for chemicals with the same backbone YAMSXCOVJUUMCT
Search UniChem for chemical match using the InChIKey YAMSXCOVJUUMCT-FCHUYYIVSA-N
Search UniChem for chemicals with the same backbone YAMSXCOVJUUMCT
Comments
RN-1 is a brain-penetrant, selective inhibitor of lysine (K)-specific demethylase 1A (KDM1A, LSD1) [1]. It does not inhibit the structurally related enzymes monoamine oxidase A and B. RN-1 can be used as a tool compound to investigate the role of reversible histone methylation in the function of the nervous system. The dihydrochloride salt (PubChem CID 90488995) is used experimentally.