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

CHEMBL3314377

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(=O)NCc1ccc(C(F)(F)F)nc1Cl)c1ccc(NS(C)(=O)=O)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3314377
Phase Preclinical
Structure Type MOL
InChI Key ZXGJHWCNCLPEEQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

453.9
MW (Da)
3.68
ALogP
4
HBA
2
HBD
88.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16ClF4N3O3S
MW 453.85
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.82

Activity Summary

Ki 1 meas. best 9.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 1
CHEMBL4794
 Ki 9.7 9.7 0.2 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 = 0.2 nM 9.7 Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition... 24948568

Literature References

PubMed DOI Target Context # Activities
24948568 10.1016/j.bmcl.2014.05.074 Transient receptor potential cation channel subfamily V member 1 1

Data from ChEMBL 36 via Core Engine