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Compound Detail

CHEMBL509602

BORRERIAGENIN
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O=C1O[C@H]2C=C(CO)[C@@H](CO)[C@H]2[C@@H]1CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL509602
Name BORRERIAGENIN
Phase Preclinical
Structure Type MOL
InChI Key MOUZVDVFZGJOOS-XGEHTFHBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

214.2
MW (Da)
-1.32
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H14O5
MW 214.22
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 2.84

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