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Compound Detail

CHEMBL1801616

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O=C(CSCc1ccccc1)c1ccc(Br)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1801616
Phase Preclinical
Structure Type MOL
InChI Key FEZWFPZMWMYFSW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

321.2
MW (Da)
4.57
ALogP
2
HBA
0
HBD
17.1
PSA (Ų)
0.75
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 C15H13BrOS
MW 321.24
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.31

Literature References

PubMed DOI Target Context # Activities
21500862 10.1021/jm1016279 Glycogen synthase kinase-3 beta 1

Data from ChEMBL 36 via Core Engine