Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4580857

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C1Nc2ccc(Br)cc2C1=Cc1ccc(Br)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4580857
Phase Preclinical
Structure Type MOL
InChI Key UDQFEMVZNROMPZ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

379.1
MW (Da)
4.70
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.72
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 C15H9Br2NO
MW 379.05
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.51

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