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Compound Detail

CHEMBL3742073

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COc1cc(OC)c2c(=O)cc(-c3ccc(OCc4ccccc4)cc3)oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3742073
Phase Preclinical
Structure Type MOL
InChI Key AXGDCWQADWNGMH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
5.06
ALogP
5
HBA
0
HBD
57.9
PSA (Ų)
0.46
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 C24H20O5
MW 388.42
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness 0.29

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