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Compound Detail

CHEMBL1085430

ARTEMINORIN C
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COc1cc2cc(-c3cc4cc(O)c(O)cc4oc3=O)c(=O)oc2c(OC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1085430
Name ARTEMINORIN C
Phase Preclinical
Structure Type MOL
InChI Key XFGGVXYNIBUVBK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

398.3
MW (Da)
2.70
ALogP
9
HBA
3
HBD
139.6
PSA (Ų)
0.35
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H14O9
MW 398.32
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness 0.93

Activity Summary

IC50 1 meas. best 5.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Xanthine dehydrogenase/oxidase
CHEMBL1929
 IC50 5.11 5.11 7710.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Xanthine dehydrogenase/oxidase IC50 = 7710.0 nM 5.11 Inhibition of XOD 19476336

Literature References

PubMed DOI Target Context # Activities
19476336 10.1021/np800643n Xanthine dehydrogenase/oxidase 1

Data from ChEMBL 36 via Core Engine