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

CHEMBL4542836

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
CCCCN(C)C(=O)COc1cc2ccc(=O)oc2c2c1OC(C)(C)C=C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4542836
Phase Preclinical
Structure Type MOL
InChI Key SAABAAFJFBUOJZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

371.4
MW (Da)
3.61
ALogP
5
HBA
0
HBD
69.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25NO5
MW 371.43
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.81

Activity Summary

EC50 1 meas. best 5.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mesenteric artery
CHEMBL4296533
 EC50 5.58 5.58 2660.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mesenteric artery EC50 = 2660.0 nM 5.58 Vasodilating activity in Wistar rat endothelium intact main mesenteric artery as... 31711783

Literature References

PubMed DOI Target Context # Activities
31711783 10.1016/j.bmcl.2019.126759 Mesenteric artery 4

Data from ChEMBL 36 via Core Engine