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

CHEMBL4079386

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
C/C(=C\CCC(C)O)CCC/C(C)=C/C(=O)CC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4079386
Phase Preclinical
Structure Type MOL
InChI Key HXSDZVQOGYNJMZ-RNPYNJAESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

280.4
MW (Da)
4.83
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H32O2
MW 280.45
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 2.09

Activity Summary

EC50 1 meas. best 5.45

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 5.45 5.45 3520.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 3520.0 nM 5.45 Antagonist activity at New Zealand rabbit L-type calcium channel assessed as dil... 28720331

Literature References

PubMed DOI Target Context # Activities
28720331 10.1016/j.bmc.2017.07.002 Unchecked 2

Data from ChEMBL 36 via Core Engine