General
Preferred name
(R)-PFI-2
Synonyms
PFI2 ()
PFI 2 ()
(R)-PFI-2 hydrochloride ()
PFI-2 HCl ()
PFI-2 ()
GTPL8235 ()
PFI-2 (hydrochloride) ()
PFI-2 hydrochloride ()
(R)-PFI-2 (hydrochloride) ()
(R)-PFI-2 ()
P&D ID
PD021559
CAS
1627607-87-7
1627676-59-8
Tags
available
probe
drug candidate
Drug indication
Breast cancer
Probe info
Probe type
calculated probe
experimental probe
Probe selectivity
protein-selective
Probe sources
Chemical Probes.org
High-quality chemical probes
Protein methyltransferases chemical toolbox
SGC Probes
Tool Compound Set
Probe targets
[[ compound.targets[t].gene_name ]]
Probe control
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
PFI-2 ((R)-PFI-2 hydrochloride) hydrochloride is a potent and selective SET domain containing lysine methyltransferase 7 (SETD7) inhibitor. (R)-PFI-2 shows high inhibiting activity with IC50 value of 2.0??nM and (S)-PFI-2 shows inhibiting activity with IC50 ?value of?1.0??¦ÌM. PFI-2 hydrochloride can be used for the research of chronic kidney disease and inflammation response in the development of renal fibrosis[1][2].
PRICE
123
MOA
SAM uncompetitive inhibitor;Peptide competitive inhibitor (in the presence of SAM)
COMMENT
This is currently the most potent probe available for this target. The availability of the negative control compound further strengthens the usability of this inhibitor. Jun 9 2016 - 9:19pm; The enantiomer (S)-PFI-2 is 500-fold less active, making it a useful negative control. Note, the probe also has an unusual cofactor-dependent mechanism of action: (R)-PFI-2 binds to SETD7 only in the presence of SAM; inhibition of SETD7 activity by (R)-PFI-2 is unlikely to be purely substrate-competitive in the classical sense. Jun 10 2016 - 3:57am
DESCRIPTION
(R)-PFI-2 is a first-in-class, potent, selective, and cell-permeable inhibitor of the methyltransferase activity of human SETD7 . 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.
(GtoPdb)
PRICE
130
MOA
Inhibitor
(Chemical Probes.org)
DESCRIPTION
PFI-2 hydrochloride ((R)-PFI-2 hydrochloride) is a potent, highly selective, and cell-active inhibitor of the methyltransferase activity of SETD7 (IC50: 2 nM), 500 fold active than (S)-PFI-2.
(TargetMol Bioactive Compound Library)
DESCRIPTION
PFI-2 is a potent, selective, and cell-active lysine methyltransferase SETD7 inhibitor with Ki (app) and IC50 of 0.33 nM and 2 nM, 1000-fold selectivity over other methyltransferases and other non-epigenetic targets.
(BOC Sciences Bioactive Compounds)
DESCRIPTION
PFI-2 is an effective, specific and cell-active lysine methyltransferase SETD7 inhibitor (Ki/IC50: 0.33/2 nM), 1000-fold selectivity over other methyltransferases and other non-epigenetic targets.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
0
Compound Sets
17
AdooQ Bioactive Compound Library
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
Chemical Probes.org
CZ-OPENSCREEN Bioactive Library
DrugMAP
EU-OPENSCREEN Bioactive Compound Library
EUbOPEN Chemogenomics Library
Guide to Pharmacology
High-quality chemical probes
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
Protein methyltransferases chemical toolbox
Selleckchem Bioactive Compound Library
SGC Probes
Tool Compound Set
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Molecular Weight
499.16
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
6
Ring Count
4
Aromatic Ring Count
2
cLogP
3.0
TPSA
78.51
Fraction CSP3
0.43
Chiral centers
1.0
Largest ring
6.0
QED
0.6
QED
0.6
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Histone-lysine N-methyltransferase SETD7
Histone methyltransferase
SETD7
Histone Methyltransferase,SETD
MOA
Histone Methyltransferase inhibitor
Substrate competitive SET7/9 inhibitor
SET7/9 Inhibitor
Member status
member
Target class
Epigenetics
Epigenetic
Pathway
Chromatin/Epigenetic
Protein Family
Histone Methyltransferase
Target subclass
Protein methyltransferase
Control
(S)-PFI-2
Recommended Cell Concentration
1 uM
Source data
