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

CHEMBL2013070

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
COCOc1c(OCOC)c(-c2ccc(O)cc2)c(C)c(C)c1-c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2013070
Phase Preclinical
Structure Type MOL
InChI Key HHJUVVJNRIBMAO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
5.01
ALogP
6
HBA
2
HBD
77.4
PSA (Ų)
0.51
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26O6
MW 410.47
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 0.34

Activity Summary

IC50 1 meas. best 9.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RBL-2H3
CHEMBL614632
 IC50 9.49 9.49 0.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RBL-2H3 IC50 = 0.32 nM 9.49 Antiinflammatory activity in rat RBL2H3 cells assessed as inhibition of DNP-BSA-... 22410084

Literature References

PubMed DOI Target Context # Activities
22410084 10.1016/j.bmcl.2012.02.034 RBL-2H3 2

Data from ChEMBL 36 via Core Engine