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Compound Detail

CHEMBL485793

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COc1c(O)cccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL485793
Phase Preclinical
Structure Type MOL
InChI Key VURDEQHSCYNQHY-BZNQNGANSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

302.3
MW (Da)
-1.42
ALogP
8
HBA
5
HBD
128.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H18O8
MW 302.28
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 2.04

Literature References

PubMed DOI Target Context # Activities
11076575 10.1021/np0000421 Radical scavenging activity 1

Data from ChEMBL 36 via Core Engine