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Compound Detail

CHEMBL2152487

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C=CCc1ccc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2152487
Phase Preclinical
Structure Type MOL
InChI Key HLTAEJNADMCLOV-LTRJMQNCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

428.4
MW (Da)
-1.94
ALogP
10
HBA
6
HBD
158.3
PSA (Ų)
0.26
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H28O10
MW 428.43
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness 2.25

Literature References

PubMed DOI Target Context # Activities
23025417 10.1021/np300402k Unchecked 1

Data from ChEMBL 36 via Core Engine