General
Preferred name
SMG1i
Synonyms
CHEMBL2158866 ()
hSMG-1 inhibitor 11j ()
compound 11j [PMID: 23021994] ()
P&D ID
PD051450
CAS
1402452-15-6
Tags
available
probe
Probe info
Probe type
calculated probe
experimental probe
P&D approved
Probe selectivity
protein-selective
Probe sources
Chemical Probes.org
High-quality chemical probes
Probe Miner (suitable probes)
Tool Compound Set
Probe targets
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 hSMG-1 inhibitor 11j, a pyrimidine derivative, is a potent and selective inhibitor of hSMG-1, with an IC50 of 0.11 nM. hSMG-1 inhibitor 11j exhibits >455-fold selectivity for hSMG-1 over mTOR (IC50=50 nM), PI3K¦Á/¦Ã (IC50=92/60 nM) and CDK1/CDK2 (IC50=32/7.1 ¦ÌM). hSMG-1 inhibitor 11j can be used for the research of cancer[1].
PRICE 650
DESCRIPTION hSMG-1 inhibitor 11j is a pyrimidine derivative. hSMG-1 inhibitor 11j is a potent and selective inhibitor of hSMG-1, IC50 = 0.11 nM. hSMG-1 inhibitor 11j exhibits >455-fold selectivity for hSMG-1 over mTOR (IC50=50 nM), PI3K??/?? (IC50=92/60 nM) and CDK1/CDK2 (IC50=32/7.1 ??M). hSMG-1 inhibitor 11j can be used for the research of cancer.
DESCRIPTION Compound 11j is reported as one of the lead compounds in the search for selective inhibitors of human SMG1 kinase (SMG1 phosphatidylinositol 3-kinase-related kinase) . (GtoPdb)
MOA Inhibitor (Chemical Probes.org)
DESCRIPTION hSMG-1 inhibitor 11j is a pyrimidine derivative. hSMG-1 inhibitor 11j is a potent and selective inhibitor of hSMG-1, IC50 = 0.11 nM. hSMG-1 inhibitor 11j exhibits >455-fold selectivity for hSMG-1 over mTOR (IC50=50 nM), PI3Kα/γ (IC50=92/60 nM) and CDK1/CDK2 (IC50=32/7.1 μM). hSMG-1 inhibitor 11j can be used for the research of cancer. (TargetMol Bioactive Compound Library)
Cell lines
1
Organisms
0
Compound Sets
9
Chemical Probes.org
smg1i
CZ-OPENSCREEN Bioactive Library
EUbOPEN Chemogenomics Library
EUB0001448
Guide to Pharmacology
8827
High-quality chemical probes
PD051450
MedChem Express Bioactive Compound Library
HY-124719
Probe Miner (suitable probes)
Q96Q15/867113
TargetMol Bioactive Compound Library
T8884
Tool Compound Set
External IDs
11
Properties
(calculated by RDKit )
Molecular Weight
565.17
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
3
Rotatable Bonds
9
Ring Count
4
Aromatic Ring Count
4
cLogP
5.38
TPSA
129.21
Fraction CSP3
0.19
Chiral centers
0.0
Largest ring
6.0
QED
0.25
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Serine/threonine-protein kinase SMG1
CDK
GSK-3
MTOR
PI3K
SMG1
PI3Kα/PI3Kγ
Pathway
PI3K/Akt/mTOR signaling
Cell Cycle/DNA Damage
PI3K/Akt/mTOR
Stem Cell/Wnt
Target class
Kinase
Target subclass
PI3/PI4
Control
CANSAR1854626
Recommended Cell Concentration
1 uM
Source data