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Compound Detail

CHEMBL516621

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COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL516621
Phase Preclinical
Structure Type MOL
InChI Key CQLRUIIRRZYHHS-UVHBULKNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

478.4
MW (Da)
-0.24
ALogP
12
HBA
7
HBD
199.5
PSA (Ų)
0.25
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H22O12
MW 478.41
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness 2.05

Literature References

PubMed DOI Target Context # Activities
- 10.1021/np960678l 5-hydroxytryptamine receptor 1A 1
27314621 10.1021/acs.jnatprod.6b00274 No relevant target 1

Data from ChEMBL 36 via Core Engine