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Compound Detail

CHEMBL4577668

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COc1ccc(C(=O)CC2(O)C(=O)Nc3ccc(Br)cc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4577668
Phase Preclinical
Structure Type MOL
InChI Key LUZKTAQYDAYQDL-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

376.2
MW (Da)
2.87
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14BrNO4
MW 376.21
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.24

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