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Compound Detail

CHEMBL5281072

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O=C(/C=C/c1cccc2c1OCO2)c1cccc(Br)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5281072
Phase Preclinical
Structure Type MOL
InChI Key ILOCWNYSKAXEPW-BQYQJAHWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

331.2
MW (Da)
4.07
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11BrO3
MW 331.17
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.30

Literature References

PubMed DOI Target Context # Activities
32920430 10.1016/j.ejmech.2020.112650 Amine oxidase [flavin-containing] B 1

Data from ChEMBL 36 via Core Engine