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Compound Detail

CHEMBL484029

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CC(C)CC(=O)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL484029
Phase Preclinical
Structure Type MOL
InChI Key SYVLRDXITUYNAK-USACIQFYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

372.4
MW (Da)
-0.49
ALogP
9
HBA
6
HBD
156.9
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H24O9
MW 372.37
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 2.11

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
26238320 10.1016/j.bmcl.2015.07.056 RAW264.7 4
16252923 10.1021/np050164z Prostaglandin G/H synthase 1 1
15568772 10.1021/np0400104 Cytochrome P450 3A4 1

Data from ChEMBL 36 via Core Engine