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Compound Detail

CHEMBL376424

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CNc1nccc(-c2ccc(NC(=O)NCc3ccc(Cl)cc3Cl)s2)n1

Basic Information

ChEMBL ID CHEMBL376424
Phase Preclinical
Structure Type MOL
InChI Key BPVVIEDOOWXNGJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

408.3
MW (Da)
4.88
ALogP
5
HBA
3
HBD
78.9
PSA (Ų)
0.56
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 C17H15Cl2N5OS
MW 408.31
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.98

Activity Summary

IC50 1 meas. best 5.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAC-gamma serine/threonine-protein kinase
CHEMBL4816
IC50 5.68 5.68 2100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAC-gamma serine/threonine-protein kinase IC50 = 2100.0 nM 5.68 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