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
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.
Database Links
GtoPdb PubChem SID 310264735
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 )