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Compound Detail

CHEMBL3758680

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COc1ccc([C@@H]2Oc3ccc(C=O)cc3O[C@H]2CO)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3758680
Phase Preclinical
Structure Type MOL
InChI Key NMXWASPLZRTFRJ-ROUUACIJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.3
MW (Da)
2.39
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H18O6
MW 330.34
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 1.33

Literature References

PubMed DOI Target Context # Activities
26595875 10.1021/acs.jnatprod.5b00743 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine