(R)-PFI-2

Ligand id: 8235

Name: (R)-PFI-2

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 86.89
Molecular weight 499.16
XLogP 4.46
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
8-fluoro-N-[(2R)-1-oxo-1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide
Database Links
CAS Registry No. 1627676-59-8
PubChem CID 71300326
RCSB PDB Ligand 1L8
Search Google for chemical match using the InChIKey JCKGSPAAPQRPBW-OAQYLSRUSA-N
Search Google for chemicals with the same backbone JCKGSPAAPQRPBW
Search UniChem for chemical match using the InChIKey JCKGSPAAPQRPBW-OAQYLSRUSA-N
Search UniChem for chemicals with the same backbone JCKGSPAAPQRPBW
SynPHARM 81848 (in complex with SET domain containing lysine methyltransferase 7)
Comments
(R)-PFI-2 is a first-in-class, potent, selective, and cell-permeable inhibitor of the methyltransferase activity of human SETD7 [1]. The S-enantiomer is 500-fold less potent. (R)-PFI-2 can be used as a chemical probe to resolve the diverse roles of SETD7 in cellular function, and may provide insight for the potential of methyltransferases as valid drug targets. This is a compound from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection.