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Compound Detail

CHEMBL4467292

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O=C1Nc2ccc(Br)cc2C1=Cc1cccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4467292
Phase Preclinical
Structure Type MOL
InChI Key ZABODDMEJCUFKR-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

306.2
MW (Da)
4.00
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H8BrNOS
MW 306.18
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.49

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
30902399 10.1016/j.bmc.2019.03.028 Glycogen synthase kinase-3 beta 2
30902399 10.1016/j.bmc.2019.03.028 A549 1
34780899 10.1016/j.bmcl.2021.128449 Unchecked 1

Data from ChEMBL 36 via Core Engine