GSK591

Ligand id: 8954

Name: GSK591

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 77.49
Molecular weight 380.22
XLogP 3.11
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-(cyclobutylamino)-N-[(2S)-2-hydroxy-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]pyridine-4-carboxamide
Synonyms
EPZ015866 | GSK3203591
Database Links
PubChem CID 117072552
RCSB PDB Ligand 4Z2
Search Google for chemical match using the InChIKey TWKYXZSXXXKKJU-FQEVSTJZSA-N
Search Google for chemicals with the same backbone TWKYXZSXXXKKJU
Search UniChem for chemical match using the InChIKey TWKYXZSXXXKKJU-FQEVSTJZSA-N
Search UniChem for chemicals with the same backbone TWKYXZSXXXKKJU
SynPHARM 83227 (in complex with protein arginine methyltransferase 5 )
Comments
GSK591 is a potent inhibitor of the arginine methyltransferase PRMT5 [1-2]. This in vivo tool compound is a result of collaboration between Epizyme and GlaxoSmithKline, and is being made available as part of the Structural Genomics Consortium's Epigenetics Probes Collection.