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Compound Detail

CHEMBL3627939

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CC(C)COc1cc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3627939
Phase Preclinical
Structure Type MOL
InChI Key JLZUTOBQHBYPQD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

490.5
MW (Da)
4.67
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26F4N2O4S
MW 490.52
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.60

Activity Summary

Ki 1 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 1
CHEMBL4794
 Ki 9.1 9.1 0.8 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 1 Ki = 0.8 nM 9.1 Antagonist activity at human TRPV1 heterologously expressed in CHO cells assesse... 26474664

Literature References

PubMed DOI Target Context # Activities
26474664 10.1016/j.bmc.2015.10.001 Transient receptor potential cation channel subfamily V member 1 1

Data from ChEMBL 36 via Core Engine