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Compound Detail

CHEMBL3353584

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Cc1cc(C(F)(F)F)cnc1N(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3353584
Phase Preclinical
Structure Type MOL
InChI Key QSHZUPQNJLCBOA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

450.4
MW (Da)
4.50
ALogP
4
HBA
1
HBD
87.6
PSA (Ų)
0.60
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 C21H17F3N2O4S
MW 450.44
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.43

Activity Summary

IC50 1 meas. best 6.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily M member 8
CHEMBL1075319
 IC50 6.13 6.13 736.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Transient receptor potential cation channel subfamily M member 8 IC50 = 736.0 nM 6.13 Antagonist activity at human TRPM8 expressed in HEK293 cells assessed as inhibit... 25455182

Literature References

PubMed DOI Target Context # Activities
25455182 10.1016/j.bmcl.2014.10.074 Transient receptor potential cation channel subfamily M member 8 1
25455182 10.1016/j.bmcl.2014.10.074 Liver microsome 1

Data from ChEMBL 36 via Core Engine