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Compound Detail

CHEMBL274739

GASTRODIN
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OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL274739
Name GASTRODIN
Phase Preclinical
Structure Type MOL
InChI Key PUQSUZTXKPLAPR-UJPOAAIJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
-1.64
ALogP
7
HBA
5
HBD
119.6
PSA (Ų)
0.45
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 C13H18O7
MW 286.28
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 1.80

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
16290145 10.1016/j.bmcl.2005.10.040 Succinate-semialdehyde dehydrogenase, mitochondrial 1
16290145 10.1016/j.bmcl.2005.10.040 4-aminobutyrate aminotransferase, mitochondrial 1
17381154 10.1021/np0605182 PC-12 1

Data from ChEMBL 36 via Core Engine