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Compound Detail

CHEMBL1796231

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O=C(c1ccc([N+](=O)[O-])cc1)c1cc2cc(Br)ccc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1796231
Phase Preclinical
Structure Type MOL
InChI Key LJWHLVPOKFCTTA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.1
MW (Da)
4.33
ALogP
4
HBA
0
HBD
73.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H8BrNO4
MW 346.14
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.13

Literature References

PubMed DOI Target Context # Activities
21622003 10.1016/j.bmc.2011.04.049 Unchecked 1

Data from ChEMBL 36 via Core Engine