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Compound Detail

CHEMBL260099

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COc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OCc1ccccc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL260099
Phase Preclinical
Structure Type MOL
InChI Key ZCLHILBDOCNFIU-SXGWCWSVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

450.4
MW (Da)
4.83
ALogP
5
HBA
1
HBD
47.6
PSA (Ų)
0.52
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 C19H16BrNO3S2
MW 450.38
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
18006321 10.1016/j.bmc.2007.10.047 Glycogen synthase kinase-3 beta 2

Data from ChEMBL 36 via Core Engine