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Compound Detail

CHEMBL3577781

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COc1cc(C=O)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3577781
Phase Preclinical
Structure Type MOL
InChI Key OPHQOIGEOHXOGX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

196.2
MW (Da)
1.52
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H12O4
MW 196.20
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.41

Literature References

PubMed DOI Target Context # Activities
25847765 10.1016/j.ejmech.2015.03.056 HepG2 2.2.15 1
25847765 10.1016/j.ejmech.2015.03.056 Hepatitis B virus 1
25847765 10.1016/j.ejmech.2015.03.056 Unchecked 1
28197313 10.1021/acsmedchemlett.6b00417 Myeloperoxidase 1

Data from ChEMBL 36 via Core Engine