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Compound Detail

CHEMBL510768

QUADRANOSIDE I
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C=C(C)[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL510768
Name QUADRANOSIDE I
Phase Preclinical
Structure Type MOL
InChI Key YFVXYEDHMANDIJ-UOLGNBMWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

650.9
MW (Da)
2.29
ALogP
10
HBA
7
HBD
177.1
PSA (Ų)
0.18
QED
2
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 C36H58O10
MW 650.85
Aromatic Rings 0
Heavy Atoms 46
NP-Likeness 3.00

Literature References

PubMed DOI Target Context # Activities
10785422 10.1021/np990581+ Hepatocyte 4
11277757 10.1021/np000486x Hepatocyte 1

Data from ChEMBL 36 via Core Engine