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

CHEMBL2430324

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
CC(=O)Nc1nccc(-c2c(-c3ccccc3)noc2C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2430324
Phase Preclinical
Structure Type MOL
InChI Key ZXRPUDIWHVWKAR-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

294.3
MW (Da)
3.07
ALogP
5
HBA
1
HBD
80.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N4O2
MW 294.31
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.40

Activity Summary

IC50 2 meas. best 6.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Casein kinase I isoform delta
CHEMBL4484
 IC50 6.08 6.08 838.4 1
Mitogen-activated protein kinase 14
CHEMBL260
 IC50 5.69 5.69 2042.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Casein kinase I isoform delta IC50 = 838.4 nM 6.08 Inhibition of rat CK1delta in presence of 20 uM ATP 24007918
Mitogen-activated protein kinase 14 IC50 = 2042.0 nM 5.69 Inhibition of human p38alpha MAPK in presence of 50 uM ATP 24007918

Literature References

PubMed DOI Target Context # Activities
24007918 10.1016/j.bmcl.2013.08.046 Unchecked 8
24007918 10.1016/j.bmcl.2013.08.046 Casein kinase I/MDM2 7
24007918 10.1016/j.bmcl.2013.08.046 A-375 5
24007918 10.1016/j.bmcl.2013.08.046 Serine/threonine-protein kinase Chk1 3
24007918 10.1016/j.bmcl.2013.08.046 Casein kinase I isoform delta 3
24007918 10.1016/j.bmcl.2013.08.046 RAC-alpha serine/threonine-protein kinase 2
24007918 10.1016/j.bmcl.2013.08.046 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial 2
24007918 10.1016/j.bmcl.2013.08.046 Serine/threonine-protein kinase pim-2 2
24007918 10.1016/j.bmcl.2013.08.046 RAC-beta serine/threonine-protein kinase 2
24007918 10.1016/j.bmcl.2013.08.046 Protein kinase C alpha type 2
24007918 10.1016/j.bmcl.2013.08.046 Protein kinase C zeta type 2
24007918 10.1016/j.bmcl.2013.08.046 Serine/threonine-protein kinase PLK1 2
24007918 10.1016/j.bmcl.2013.08.046 MAP kinase-activated protein kinase 5 2
24007918 10.1016/j.bmcl.2013.08.046 Rho-associated protein kinase 2 2
24007918 10.1016/j.bmcl.2013.08.046 Ribosomal protein S6 kinase alpha-3 2
24007918 10.1016/j.bmcl.2013.08.046 Ribosomal protein S6 kinase beta-1 2
24007918 10.1016/j.bmcl.2013.08.046 Mitogen-activated protein kinase 12 2
24007918 10.1016/j.bmcl.2013.08.046 SRSF protein kinase 1 2
24007918 10.1016/j.bmcl.2013.08.046 Tyrosine-protein kinase SYK 2
24007918 10.1016/j.bmcl.2013.08.046 Tyrosine-protein kinase Yes 2

Data from ChEMBL 36 via Core Engine