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Compound Detail

CHEMBL5963438

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CC[C@]1(c2ccccc2)C2=C(CC3(CCCCC3)CC2=O)Nc2ncsc21

Basic Information

ChEMBL ID CHEMBL5963438
Phase Preclinical
Structure Type MOL
InChI Key PHLOAJCAGOSYSY-QHCPKHFHSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

378.5
MW (Da)
5.83
ALogP
4
HBA
1
HBD
42.0
PSA (Ų)
0.71
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N2OS
MW 378.54
Aromatic Rings 2
Heavy Atoms 27

Activity Summary

IC50 2 meas. best 5.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen synthase kinase-3 beta
CHEMBL262
IC50 5.72 5.72 1890.0 1
Glycogen synthase kinase-3 alpha
CHEMBL2850
IC50 5.44 5.44 3660.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine