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

CHEMBL3613634

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
CC(C)N1CCCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3613634
Phase Preclinical
Structure Type MOL
InChI Key JSYXSYSDWUBYQV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

469.5
MW (Da)
4.06
ALogP
4
HBA
1
HBD
69.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26F3N3O3S
MW 469.53
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -2.17

Activity Summary

IC50 1 meas. best 5.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 4
CHEMBL3119
 IC50 5.88 5.88 1320.0 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 IC50 = 1320.0 nM 5.88 Antagonist activity at human TRPV4 receptor expressed in HEK293 cells assessed a... 26235950

Literature References

PubMed DOI Target Context # Activities
26235950 10.1016/j.bmcl.2015.06.098 Transient receptor potential cation channel subfamily V member 4 2

Data from ChEMBL 36 via Core Engine