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Compound Detail

CHEMBL208606

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Cn1cc(C[C@H](N)COc2cncc(-c3ccc4cnccc4c3)c2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL208606
Phase Preclinical
Structure Type MOL
InChI Key NTDLOJYCKUXIBP-QHCPKHFHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
4.74
ALogP
5
HBA
1
HBD
66.0
PSA (Ų)
0.44
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 C26H24N4O
MW 408.51
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -0.65

Activity Summary

Ki 1 meas. best 7.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAC-alpha serine/threonine-protein kinase
CHEMBL4282
Ki 7.26 7.26 54.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAC-alpha serine/threonine-protein kinase Ki = 54.6 nM 7.26 Inhibition of Akt1 in presence of 10 uM ATP 16678413

Literature References

PubMed DOI Target Context # Activities
16678413 10.1016/j.bmcl.2006.04.046 RAC-alpha serine/threonine-protein kinase 1

Data from ChEMBL 36 via Core Engine