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Compound Detail

CHEMBL226658

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O=C1Nc2cccc(Br)c2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL226658
Phase Preclinical
Structure Type MOL
InChI Key ITRAKBJPMLKWIW-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

226.0
MW (Da)
1.58
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H4BrNO2
MW 226.03
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 0.07

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
17088067 10.1016/j.bmc.2006.10.035 U-937 1
20056518 10.1016/j.ejmech.2009.12.010 U-937 1
24316352 10.1016/j.bmc.2013.11.028 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine