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

CHEMBL1766569

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
COc1ccc(/C=C/C(=O)c2ccc(C)cc2)c(CN2CCOCC2)c1O

Basic Information

ChEMBL ID CHEMBL1766569
Phase Preclinical
Structure Type MOL
InChI Key BULBNMFBNXNKJA-VQHVLOKHSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
3.44
ALogP
5
HBA
1
HBD
59.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25NO4
MW 367.45
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.37

Activity Summary

IC50 2 meas. best 5.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neutrophil
CHEMBL613710
IC50 5.56 5.36 2760.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21441032 10.1016/j.bmc.2011.02.038 Neutrophil 2
22055718 10.1016/j.bmc.2011.08.004 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine