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

CHEMBL304172

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
COc1cccc(-n2ncc3c(N/N=C/c4ccc(NC(C)=O)cc4)ncnc32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL304172
Phase Preclinical
Structure Type MOL
InChI Key PSLUOEUUBUBTJE-BHGWPJFGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

401.4
MW (Da)
3.23
ALogP
8
HBA
2
HBD
106.3
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N7O2
MW 401.43
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -2.14

Activity Summary

IC50 1 meas. best 7.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen synthase kinase-3 beta
CHEMBL262
 IC50 7.9 7.9 12.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen synthase kinase-3 beta IC50 = 12.59 nM 7.9 Ability to inhibit 50% glycogen synthase kinase-3 beta of recombinant human, exp... 15080992

Literature References

PubMed DOI Target Context # Activities
15080992 10.1016/j.bmcl.2004.02.036 Glycogen synthase kinase-3 beta 1

Data from ChEMBL 36 via Core Engine