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Compound Detail

CHEMBL4126352

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COc1cc(CCO)cc(-c2cc(CCO)cc(OC)c2O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4126352
Phase Preclinical
Structure Type MOL
InChI Key XGRJXQWRXCIYBI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
1.85
ALogP
6
HBA
4
HBD
99.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22O6
MW 334.37
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.67

Literature References

PubMed DOI Target Context # Activities
28497968 10.1021/acs.jnatprod.7b00250 Unchecked 1

Data from ChEMBL 36 via Core Engine