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Compound Detail

CHEMBL412540

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CC1=C2C(=C[C@]34C5OC(=O)[C@@]23OC2OC(=O)[C@H](O)C24[C@H](C(C)(C)C)[C@H]5O)OC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL412540
Phase Preclinical
Structure Type MOL
InChI Key HCERBEGEWMAZKD-BBFKBFHISA-N

Known Names

1,23,14-Dianhydro-Ginkgolide C
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
1
Known Names

Molecular Properties

404.4
MW (Da)
-0.30
ALogP
9
HBA
2
HBD
128.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20O9
MW 404.37
Aromatic Rings 0
Heavy Atoms 29
NP-Likeness 2.48

Literature References

PubMed DOI Target Context # Activities
17352465 10.1021/jm070003n Glycine receptor subunit alpha-1 2
17352465 10.1021/jm070003n Glycine receptor subunit alpha-2 1

Data from ChEMBL 36 via Core Engine