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Compound Detail

CHEMBL202937

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Cn1cc(C(CN)c2cncc(/C=C/c3ccncc3)c2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL202937
Phase Preclinical
Structure Type MOL
InChI Key SJDGHXXYFFXVPE-VOTSOKGWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

354.5
MW (Da)
4.23
ALogP
4
HBA
1
HBD
56.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N4
MW 354.46
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.48

Activity Summary

IC50 1 meas. best 6.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAC-alpha serine/threonine-protein kinase
CHEMBL4282
IC50 6.12 6.12 760.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAC-alpha serine/threonine-protein kinase IC50 = 760.0 nM 6.12 Inhibition of Akt1 using 10 uM ATP 16403626

Literature References

PubMed DOI Target Context # Activities
16403626 10.1016/j.bmcl.2005.12.017 RAC-alpha serine/threonine-protein kinase 1

Data from ChEMBL 36 via Core Engine