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Compound Detail

CHEMBL3613636

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CCN(CC)C1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3613636
Phase Preclinical
Structure Type MOL
InChI Key ZMZNMRJHXUNOEL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

483.6
MW (Da)
4.45
ALogP
4
HBA
1
HBD
69.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28F3N3O3S
MW 483.56
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -2.03

Activity Summary

IC50 1 meas. best 6.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 4
CHEMBL3119
 IC50 6.04 6.04 910.0 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 = 910.0 nM 6.04 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