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Compound Detail

CHEMBL359537

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O=C1NC(=O)C(c2cnc3cccnn23)=C1c1cn2c3c(cccc13)CNCC2

Basic Information

ChEMBL ID CHEMBL359537
Phase Preclinical
Structure Type MOL
InChI Key OLKIZDOBETVOFT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
1.35
ALogP
7
HBA
2
HBD
93.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16N6O2
MW 384.40
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.78

Activity Summary

IC50 1 meas. best 8.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen synthase kinase-3
CHEMBL2095188
IC50 8.32 8.32 4.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen synthase kinase-3 IC50 = 4.8 nM 8.32 Inhibitory concentration against the Glycogen synthase kinase-3 15686883

Literature References

PubMed DOI Target Context # Activities
15686883 10.1016/j.bmcl.2004.12.063 Unchecked 3
15686883 10.1016/j.bmcl.2004.12.063 Glycogen synthase kinase-3 1

Data from ChEMBL 36 via Core Engine