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Compound Detail

CHEMBL400494

FIBRAURETINOSIDE A
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C[C@@]12[C@H]3CC=C[C@]1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O[C@@H]2C[C@]1(O)C(=O)O[C@H](c2ccoc2)C[C@@]31C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL400494
Name FIBRAURETINOSIDE A
Phase Preclinical
Structure Type MOL
InChI Key WNOWXHZXFDFPBC-WEYSNVRMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

536.5
MW (Da)
-0.53
ALogP
12
HBA
5
HBD
185.3
PSA (Ų)
0.25
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 C26H32O12
MW 536.53
Aromatic Rings 1
Heavy Atoms 38
NP-Likeness 2.88

Literature References

PubMed DOI Target Context # Activities
17994701 10.1021/np0704248 Cytochrome P450 3A4 1

Data from ChEMBL 36 via Core Engine