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Compound Detail

CHEMBL259389

QUINOXALINE1
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Nc1n[nH]c2nc3ccccc3nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL259389
Name QUINOXALINE1
Phase Preclinical
Structure Type MOL
InChI Key DWHVZCLBMTZRQM-UHFFFAOYSA-N
8
Targets
12
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

185.2
MW (Da)
1.09
ALogP
4
HBA
2
HBD
80.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H7N5
MW 185.19
Aromatic Rings 3
Heavy Atoms 14
NP-Likeness -0.85

Activity Summary

IC50 12 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CDK2/Cyclin A2
CHEMBL3038469
 IC50 8.0 8.0 10.0 1
Cyclin-dependent kinase 5/CDK5 activator 1
CHEMBL1907600
 IC50 6.4 5.63 400.0 2
Unchecked
CHEMBL612545
 IC50 6.4 6.28 400.0 3
Glycogen synthase kinase-3 beta
CHEMBL262
 IC50 6.0 6.0 1000.0 2
Cyclin-dependent kinase 2/cyclin E1
CHEMBL1907605
 IC50 5.25 5.25 5600.0 1
Interferon-induced, double-stranded RNA-activated protein kinase
CHEMBL5785
 IC50 5.22 5.22 6000.0 1
Cyclin-dependent kinase 1/cyclin B1
CHEMBL1907602
 IC50 5.01 5.01 9700.0 1
CDK9/cyclin T1
CHEMBL2111389
 IC50 4.85 4.85 14100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
CDK2/Cyclin A2 IC50 = 10.0 nM 8.0 Inhibition of GST-tagged CDK2/cyclin A2 (unknown origin) expressed in Escherichi... 30234987
Unchecked IC50 = 400.0 nM 6.4 Inhibition of Cdk5/p25 18077363
Cyclin-dependent kinase 5/CDK5 activator 1 IC50 = 400.0 nM 6.4 Inhibition of CDK5/p25 (unknown origin) expressed in Escherichia coli using hist... 30502116
Unchecked IC50 = 600.0 nM 6.22 Inhibition of Cdk1/cyclin B 18077363
Unchecked IC50 = 600.0 nM 6.22 Inhibition of Marthasterias glacialis oocyte CDK1/cyclin B using histone as subs... 30502116
Glycogen synthase kinase-3 beta IC50 = 1000.0 nM 6.0 Inhibition of GSK3-beta 18077363
Glycogen synthase kinase-3 beta IC50 = 1000.0 nM 6.0 Inhibition of GSK3beta (unknown origin) using GS-1 peptide as a substrate after ... 30502116
Cyclin-dependent kinase 2/cyclin E1 IC50 = 5600.0 nM 5.25 Inhibition of His-tagged CDK2/cyclin E (unknown origin) expressed in Baculovirus... 30234987
Interferon-induced, double-stranded RNA-activated protein kinase IC50 = 6000.0 nM 5.22 Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10... 21632247
Cyclin-dependent kinase 1/cyclin B1 IC50 = 9700.0 nM 5.01 Inhibition of His-tagged CDK1/cyclin B1 (unknown origin) expressed in Baculoviru... 30234987
Cyclin-dependent kinase 5/CDK5 activator 1 IC50 = 13700.0 nM 4.86 Inhibition of GST-tagged CDK5/p25 (unknown origin) expressed in Baculovirus infe... 30234987
CDK9/cyclin T1 IC50 = 14100.0 nM 4.85 Inhibition of GST-tagged CDK9/CyclinT1 (unknown origin) expressed in Baculovirus... 30234987

Literature References

PubMed DOI Target Context # Activities
23398362 10.1042/bj20121418 Serine/threonine-protein kinase mTOR 4
23398362 10.1042/bj20121418 Insulin receptor 4
23398362 10.1042/bj20121418 Cyclin-dependent kinase 5/CDK5 activator 1 4
23398362 10.1042/bj20121418 cGMP-dependent protein kinase 1 4
23398362 10.1042/bj20121418 Tyrosine-protein kinase HCK 4
23398362 10.1042/bj20121418 Tyrosine-protein kinase Lck 4
23398362 10.1042/bj20121418 Protein kinase C beta type 4
23398362 10.1042/bj20121418 Insulin-like growth factor 1 receptor 4
18077363 10.1073/pnas.0708800104 Unchecked 3
23398362 10.1042/bj20121418 Serine/threonine-protein kinase Nek7 2
23398362 10.1042/bj20121418 Serine/threonine-protein kinase Nek6 2
23398362 10.1042/bj20121418 Cyclin-dependent kinase 2/cyclin A 2
23398362 10.1042/bj20121418 Casein kinase I isoform gamma-3 2
23398362 10.1042/bj20121418 Death-associated protein kinase 1 2
23398362 10.1042/bj20121418 Ephrin type-A receptor 4 2
23398362 10.1042/bj20121418 Fibroblast growth factor receptor 3 2
23398362 10.1042/bj20121418 Tyrosine-protein kinase Fyn 2
23398362 10.1042/bj20121418 Serine/threonine-protein kinase MARK1 2
23398362 10.1042/bj20121418 Dual specificity mitogen-activated protein kinase kinase 1 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2

Data from ChEMBL 36 via Core Engine