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Compound Detail

CHEMBL518727

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COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1[C@@H](O)C[C@@H]2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL518727
Phase Preclinical
Structure Type MOL
InChI Key MTMCJGRBRGDLOQ-QCBYNKRRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
-2.15
ALogP
10
HBA
5
HBD
155.1
PSA (Ų)
0.34
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 C17H26O10
MW 390.39
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 2.70

Literature References

PubMed DOI Target Context # Activities
15844957 10.1021/np0495985 NON-PROTEIN TARGET 2
15844957 10.1021/np0495985 Radical scavenging activity 1

Data from ChEMBL 36 via Core Engine