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
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.
Database Links
GtoPdb PubChem SID 252166601
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