ORY-1001

Ligand id: 8390

Name: ORY-1001

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 38.05
Molecular weight 230.18
XLogP 4.09
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-N-[(1R,2S)-2-phenylcyclopropyl]cyclohexane-1,4-diamine
Synonyms
RG-6016
Database Links
PubChem CID 71543365
Search Google for chemical match using the InChIKey ALHBJBCQLJZYON-PFSRBDOWSA-N
Search Google for chemicals with the same backbone ALHBJBCQLJZYON
Search UniChem for chemical match using the InChIKey ALHBJBCQLJZYON-PFSRBDOWSA-N
Search UniChem for chemicals with the same backbone ALHBJBCQLJZYON
Comments
ORY-1001 is a selective and irreversible inhibitor of lysine (K)-specific demethylase 1A (KDM1A, aka LSD1) [2], in clinical development by Oryzon Genomics. Structurally it is a derivative of tranylcypromine. ORY-1001 is claimed in patent WO2010084160 A1 [1]. We provide the structure for the parent compound and the dichloride salt is represented in PubChem CID 71664305.