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Compound Detail

CHEMBL127993

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O=C1c2c(O)cccc2C(Br)c2cccc(O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL127993
Phase Preclinical
Structure Type MOL
InChI Key JXHWADZWXKBZAX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

305.1
MW (Da)
3.13
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.74
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 C14H9BrO3
MW 305.13
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.81

Literature References

PubMed DOI Target Context # Activities
9371243 10.1021/jm970292n Molecular identity unknown 2
9371243 10.1021/jm970292n No relevant target 1
9371243 10.1021/jm970292n Arachidonate 5-lipoxygenase 1
9371243 10.1021/jm970292n HaCaT 1

Data from ChEMBL 36 via Core Engine