Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL407002

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCC(=O)Nc1n[nH]c2ncc(-c3cccnc3)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL407002
Phase Preclinical
Structure Type MOL
InChI Key SVEYNURJTZJXIG-UHFFFAOYSA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

281.3
MW (Da)
2.76
ALogP
4
HBA
2
HBD
83.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15N5O
MW 281.32
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.55

Activity Summary

IC50 4 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen synthase kinase-3 beta
CHEMBL262
 IC50 7.96 7.96 11.0 1
Glycogen synthase kinase-3 alpha
CHEMBL2850
 IC50 7.96 7.96 11.0 1
Unchecked
CHEMBL612545
 IC50 7.96 7.96 11.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen synthase kinase-3 alpha IC50 = 11.0 nM 7.96 Inhibition against human glycogen synthase kinase-3alpha (hGSK-3). 12699759
Glycogen synthase kinase-3 beta IC50 = 11.0 nM 7.96 Inhibition of recombinant GSK3-beta 18324764
Unchecked IC50 = 11.0 nM 7.96 Inhibition of GSK3 17707953
Unchecked IC50 = 10.96 nM 7.96 Inhibition of GSK3 17707953

Literature References

PubMed DOI Target Context # Activities
24007918 10.1016/j.bmcl.2013.08.046 Unchecked 6
24007918 10.1016/j.bmcl.2013.08.046 Casein kinase I/MDM2 4
24007918 10.1016/j.bmcl.2013.08.046 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial 2
17707953 10.1016/j.ejmech.2007.06.016 Unchecked 2
24007918 10.1016/j.bmcl.2013.08.046 MAP kinase-activated protein kinase 5 2
24007918 10.1016/j.bmcl.2013.08.046 Serine/threonine-protein kinase PLK1 2
24007918 10.1016/j.bmcl.2013.08.046 Tyrosine-protein kinase Yes 2
24007918 10.1016/j.bmcl.2013.08.046 Ribosomal protein S6 kinase beta-1 2
24007918 10.1016/j.bmcl.2013.08.046 Rho-associated protein kinase 2 2
24007918 10.1016/j.bmcl.2013.08.046 Serine/threonine-protein kinase Nek6 2
24007918 10.1016/j.bmcl.2013.08.046 Tyrosine-protein kinase BTK 2
24007918 10.1016/j.bmcl.2013.08.046 RAC-alpha serine/threonine-protein kinase 2
24007918 10.1016/j.bmcl.2013.08.046 Tyrosine-protein kinase SYK 2
24007918 10.1016/j.bmcl.2013.08.046 Protein kinase C alpha type 2
24007918 10.1016/j.bmcl.2013.08.046 RAC-beta serine/threonine-protein kinase 2
24007918 10.1016/j.bmcl.2013.08.046 SRSF protein kinase 1 2
24007918 10.1016/j.bmcl.2013.08.046 Serine/threonine-protein kinase PAK 4 2
24007918 10.1016/j.bmcl.2013.08.046 Ribosomal protein S6 kinase alpha-5 2
24007918 10.1016/j.bmcl.2013.08.046 Ribosomal protein S6 kinase alpha-3 2
24007918 10.1016/j.bmcl.2013.08.046 Protein kinase C zeta type 2

Data from ChEMBL 36 via Core Engine