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

CHEMBL118987

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
CCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@@]3(O)C(=O)C(C)=C[C@@H]23)[C@@H]2C(C)(C)[C@]12OC(=O)CCCCCCCCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL118987
Phase Preclinical
Structure Type MOL
InChI Key DGOSGFYDFDYMCW-OEFRVDPMSA-N
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

672.9
MW (Da)
7.31
ALogP
8
HBA
3
HBD
130.4
PSA (Ų)
0.07
QED
2
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C40H64O8
MW 672.94
Aromatic Rings 0
Heavy Atoms 48
NP-Likeness 2.12

Activity Summary

EC50 5 meas. best 6.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 4
CHEMBL6126
 EC50 6.5 6.14 320.0 4
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 5.82 5.82 1500.0 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 = 320.0 nM 6.5 Activation of mouse TRPV4 S557A mutant expressed in HEK293 cells assessed as inc... 19361196
Transient receptor potential cation channel subfamily V member 4 EC50 = 370.0 nM 6.43 Activation of mouse wild type TRPV4 expressed in HEK293 cells assessed as increa... 19361196
Transient receptor potential cation channel subfamily V member 4 EC50 = 370.0 nM 6.43 Agonist activity at mouse TRPV4 32063431
NON-PROTEIN TARGET EC50 = 1500.0 nM 5.82 Antiviral activity against chikungunya virus Indian ocean strain 899 infected in... 25970561
Transient receptor potential cation channel subfamily V member 4 EC50 = 6300.0 nM 5.2 Activation of mouse TRPV4 Y556A mutant expressed in HEK293 cells assessed as inc... 19361196

Literature References

PubMed DOI Target Context # Activities
19361196 10.1021/jm9001007 Transient receptor potential cation channel subfamily V member 4 4
25970561 10.1021/acs.jnatprod.5b00073 Unchecked 3
- 10.1016/0960-894X(96)00026-1 Protein kinase C gamma type 1
- 10.1016/0960-894X(96)00026-1 Protein kinase C eta type 1
19361196 10.1021/jm9001007 HEK293 1
25970561 10.1021/acs.jnatprod.5b00073 NON-PROTEIN TARGET 1
25970561 10.1021/acs.jnatprod.5b00073 Human immunodeficiency virus 1 1
25970561 10.1021/acs.jnatprod.5b00073 Human immunodeficiency virus 2 1
32063431 10.1016/j.bmcl.2020.127022 Transient receptor potential cation channel subfamily V member 4 1

Data from ChEMBL 36 via Core Engine