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Compound Detail

CHEMBL228145

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O=C1Nc2c(Br)cc([N+](=O)[O-])cc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL228145
Phase Preclinical
Structure Type MOL
InChI Key UOPGVBXIDFAQBK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

271.0
MW (Da)
1.49
ALogP
4
HBA
1
HBD
89.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H3BrN2O4
MW 271.03
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.67

Literature References

PubMed DOI Target Context # Activities
17088067 10.1016/j.bmc.2006.10.035 U-937 1

Data from ChEMBL 36 via Core Engine