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Compound Detail

CHEMBL210115

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CNc1nccc(-c2ccc(C(=O)N[C@@H](Cc3ccc(Cl)cc3Cl)C(=O)OC)s2)n1

Basic Information

ChEMBL ID CHEMBL210115
Phase Preclinical
Structure Type MOL
InChI Key AONUCCZONNRUNR-HNNXBMFYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

465.4
MW (Da)
4.07
ALogP
7
HBA
2
HBD
93.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18Cl2N4O3S
MW 465.36
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.23

Activity Summary

IC50 1 meas. best 5.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAC-gamma serine/threonine-protein kinase
CHEMBL4816
IC50 5.62 5.62 2400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAC-gamma serine/threonine-protein kinase IC50 = 2400.0 nM 5.62 Inhibition of AKT3 in presence of 0.2 uM ATP 16765046

Literature References

PubMed DOI Target Context # Activities
16765046 10.1016/j.bmcl.2006.05.092 RAC-gamma serine/threonine-protein kinase 1

Data from ChEMBL 36 via Core Engine