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

CHEMBL1893588

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
CCCCC/C=C\C/C=C\C/C=C\CC1OC1CCCC(=O)O

Basic Information

ChEMBL ID CHEMBL1893588
Phase Preclinical
Structure Type MOL
InChI Key VBQNSZQZRAGRIX-QNEBEIHSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

320.5
MW (Da)
5.43
ALogP
2
HBA
1
HBD
49.8
PSA (Ų)
0.26
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H32O3
MW 320.47
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 1.75

Activity Summary

EC50 1 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 4
CHEMBL6126
EC50 6.82 6.82 150.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Transient receptor potential cation channel subfamily V member 4 EC50 = 150.0 nM 6.82 Agonist activity at mouse TRPV4 32063431

Literature References

PubMed DOI Target Context # Activities
32063431 10.1016/j.bmcl.2020.127022 Transient receptor potential cation channel subfamily V member 4 1

Data from ChEMBL 36 via Core Engine