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Compound Detail

CHEMBL3741052

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COc1ccc(-c2coc3cc(OCc4ccc(Br)cc4)cc(O)c3c2=O)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3741052
Phase Preclinical
Structure Type MOL
InChI Key GZZGJRLQWYMGGS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

483.3
MW (Da)
5.52
ALogP
6
HBA
1
HBD
78.1
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C24H19BrO6
MW 483.31
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness 0.41

Literature References

PubMed DOI Target Context # Activities
26602279 10.1016/j.bmcl.2015.11.026 Receptor-type tyrosine-protein phosphatase S 2

Data from ChEMBL 36 via Core Engine