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Compound Detail

CHEMBL2207947

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CC(C)N1C(=O)CC(c2ccco2)Sc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2207947
Phase Preclinical
Structure Type MOL
InChI Key YFQTWGCBQFKDJB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

287.4
MW (Da)
4.26
ALogP
3
HBA
0
HBD
33.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17NO2S
MW 287.38
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.99

Literature References

PubMed DOI Target Context # Activities
23099099 10.1016/j.bmcl.2012.09.043 Glycogen synthase kinase-3 beta 1

Data from ChEMBL 36 via Core Engine