General
Preferred name
GNF 2
Synonyms
GNF-2 ()
KIN001-013 (GNF-2 / 3-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-yl)benzamide) ()
GNF2 ()
Bcr-abl inhibitor GNF-2 ()
P&D ID
PD010525
CAS
778270-11-4
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION GNF-2 is a highly selective non-ATP competitive inhibitor of Bcr-Abl . It acts as a negative allosteric modulator, binding to a site distant from the ATP pocket. (GtoPdb)
DESCRIPTION Selective allosteric inhibitor of Bcr-Abl tyrosine kinase activity (Tocriscreen Plus)
DESCRIPTION Histone deacetylase inhibitor (Tocris Bioactive Compound Library)
DESCRIPTION GNF-2 is a Bcr-Abl inhibitor that binds to the myristoyl binding pocket, an allosteric site distant from the active site, stabilizing the inactive form of the kinase. Thus, it can selectively inhibit Bcr-Abl phosphorylation (IC50 = 267 nM) without affecting native c-Abl or a panel of 63 additional kinases. (BOC Sciences Bioactive Compounds)
Cell lines
159
Organisms
1
Compound Sets
15
AdooQ Bioactive Compound Library
A11439
Axon Medchem Screening Library
1882
BOC Sciences Bioactive Compounds
gnf-2-cas-778270-11-4-item-84-133912
Cayman Chemical Bioactives
16253
Drug Repurposing Hub
EUbOPEN Chemogenomics Library
EUB0000875
Guide to Pharmacology
5935
LINCS compound set
10022-101
MedChem Express Bioactive Compound Library
HY-11007
Novartis Chemogenetic Library (NIBR MoA Box)
Selleckchem Bioactive Compound Library
gnf-2
TargetMol Bioactive Compound Library
T1817
Tocris Bioactive Compound Library
4399
Tocriscreen Plus
4399
Welcome Trust Cancer Drugs
52
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
374.1
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
2
Rotatable Bonds
5
Ring Count
3
Aromatic Ring Count
3
cLogP
3.88
TPSA
90.13
Fraction CSP3
0.06
Chiral centers
0.0
Largest ring
6.0
QED
0.71
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target Type
Enzymes
Pathway
ABL signaling
Angiogenesis
Cytoskeletal Signaling
Tyrosine Kinase/Adaptors
Anti-infection
Protein Tyrosine Kinase/RTK
Target
ABL (T315I)
Bcr-Abl (K562 cell line)
Bcr-Abl (SUP-B15 cell line)
ABL1, BCR
Bcr-Abl inhibitor
Bcr-Abl
SARS-CoV
Primary Target
Abl Kinase
MOA
Inhibitor
Bcr-Abl Kinase Inhibitors
Inhibitors of Signal Transduction Pathways
"Bcr-Abl Kinase Inhibitors
Inhibitors of Signal Transduction Pathways"
Bcr-Abl kinase inhibitor
Member status
virtual
Solubility
In vitro:<br/>10 mM in DMSO
Recommended Cell Concentration
None
Source data