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
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.
Database Links
GtoPdb PubChem SID 310264760
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