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Compound Detail

CHEMBL250269

OLIBERGIN A
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COc1cc(-c2coc3cc(O)cc(O)c3c2=O)c(OC)cc1O

Basic Information

ChEMBL ID CHEMBL250269
Name OLIBERGIN A
Phase Preclinical
Structure Type MOL
InChI Key GQGAUUMVOCWEFW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

330.3
MW (Da)
2.59
ALogP
7
HBA
3
HBD
109.4
PSA (Ų)
0.68
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 C17H14O7
MW 330.29
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 1.48

Activity Summary

IC50 1 meas. best 4.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
IC50 4.34 4.34 45500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 45500.0 nM 4.34 Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... 23743282

Literature References

PubMed DOI Target Context # Activities
18039011 10.1021/np0703904 DLD-1 1
18039011 10.1021/np0703904 HeLa 1
23743282 10.1016/j.bmcl.2013.04.032 ADMET 1
23743282 10.1016/j.bmcl.2013.04.032 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine