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Quick search ChEMBL 36
Compound Detail

CHEMBL470879

OXOPHOEBINE
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COc1c(OC)c2c3c(nccc3c1OC)C(=O)c1cc3c(cc1-2)OCO3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL470879
Name OXOPHOEBINE
Phase Preclinical
Structure Type MOL
InChI Key JHBLLXUDHWJZMA-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

365.3
MW (Da)
3.20
ALogP
7
HBA
0
HBD
76.1
PSA (Ų)
0.55
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 C20H15NO6
MW 365.34
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness 1.14

Activity Summary

IC50 2 meas. best 4.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.54 4.54 28500.0 1
RAW264.7
CHEMBL612557
 IC50 4.47 4.47 34200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 28500.0 nM 4.54 Inhibition of LPS-indued NF-kappaB activation in mouse RAW264.7 cells preincubat... 33939429
RAW264.7 IC50 = 34200.0 nM 4.47 Antiinflammatory activity in mouse RAW264.7 assessed as inhibition of LPS-induce... 33939429

Literature References

PubMed DOI Target Context # Activities
8158166 10.1021/np50103a009 Saccharomyces cerevisiae 4
33939429 10.1021/acs.jnatprod.1c00146 RAW264.7 2
33939429 10.1021/acs.jnatprod.1c00146 Unchecked 1

Data from ChEMBL 36 via Core Engine