Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL481442

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1cc(O)c(CC(O)C(C)(C)OC)c(O)c1C(=O)/C=C/c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL481442
Phase Preclinical
Structure Type MOL
InChI Key YXGBQKBRCDLZMP-JXMROGBWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.4
MW (Da)
3.04
ALogP
7
HBA
4
HBD
116.5
PSA (Ų)
0.40
QED
0
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 C22H26O7
MW 402.44
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 1.61

Activity Summary

IC50 1 meas. best 5.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
 IC50 5.19 5.19 6500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAW264.7 IC50 = 6500.0 nM 5.19 Inhibition of LPS/IFN-gamma-induced NO production in mouse RAW264.7 cells after ... 15679315

Literature References

PubMed DOI Target Context # Activities
15679315 10.1021/np0499113 RAW264.7 2

Data from ChEMBL 36 via Core Engine