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Compound Detail

CHEMBL264667

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NC(=O)C1CCN(c2ncnc3[nH]cnc23)CC1

Basic Information

ChEMBL ID CHEMBL264667
Phase Preclinical
Structure Type MOL
InChI Key QPKOOAWJSYVLQU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

246.3
MW (Da)
0.05
ALogP
5
HBA
2
HBD
100.8
PSA (Ų)
0.78
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 C11H14N6O
MW 246.27
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.48

Activity Summary

IC50 1 meas. best 4.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAC-beta serine/threonine-protein kinase
CHEMBL2431
IC50 4.39 4.39 41000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18345609 10.1021/jm701437d RAC-beta serine/threonine-protein kinase 1
18345609 10.1021/jm701437d Unchecked 1
18345609 10.1021/jm701437d NON-PROTEIN TARGET 1
18345609 10.1021/jm701437d Glycogen synthase kinase-3 beta 1

Data from ChEMBL 36 via Core Engine