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Compound Detail

CHEMBL209638

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N[C@H](COc1cncc(-c2ccc3cnccc3c2)c1)CC1CCCCC1

Basic Information

ChEMBL ID CHEMBL209638
Phase Preclinical
Structure Type MOL
InChI Key VUHRELZASYVOIK-QFIPXVFZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

361.5
MW (Da)
4.97
ALogP
4
HBA
1
HBD
61.0
PSA (Ų)
0.67
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 C23H27N3O
MW 361.49
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.38

Activity Summary

Ki 1 meas. best 6.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAC-alpha serine/threonine-protein kinase
CHEMBL4282
Ki 6.17 6.17 672.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAC-alpha serine/threonine-protein kinase Ki = 672.0 nM 6.17 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