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Compound Detail

CHEMBL4517715

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O=C1Nc2ccc(Br)cc2C1=Cc1ccco1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4517715
Phase Preclinical
Structure Type MOL
InChI Key CBYUHHGMVIHGFQ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

290.1
MW (Da)
3.53
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.82
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 C13H8BrNO2
MW 290.12
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.96

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

Data from ChEMBL 36 via Core Engine