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Compound Detail

CHEMBL2324349

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Cc1c(N(Cc2ccc(F)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C(=O)O)cc2)sc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2324349
Phase Preclinical
Structure Type MOL
InChI Key PIHSZIXJTORHOL-UHFFFAOYSA-N
2
Targets
9
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

523.5
MW (Da)
6.46
ALogP
4
HBA
1
HBD
74.7
PSA (Ų)
0.29
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H17F4NO4S2
MW 523.53
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.57

Activity Summary

IC50 9 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential M8 protein
CHEMBL1667665
 IC50 9.1 8.9 0.8 3
Transient receptor potential cation channel subfamily M member 8
CHEMBL1075319
 IC50 8.96 8.5167 1.1 6

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Transient receptor potential M8 protein IC50 = 0.8 nM 9.1 Functional Assay: The functional activity of compounds of the formula (I) was de... -
Transient receptor potential M8 protein IC50 = 1.1 nM 8.96 Patch Clamp Assay: For patch clamp experiments, HEK293 cells are stably transfec... -
Transient receptor potential cation channel subfamily M member 8 IC50 = 1.1 nM 8.96 Agonist activity at human TRMP8 expressed in HEK293 cells measured after 24 hrs ... 27437828
Transient receptor potential M8 protein IC50 = 2.3 nM 8.64 Patch Clamp Assay: For patch clamp experiments, HEK293 cells are stably transfec... -
Transient receptor potential cation channel subfamily M member 8 IC50 = 2.3 nM 8.64 Agonist activity at human TRMP8 expressed in HEK293 cells measured after 24 hrs ... 27437828
Transient receptor potential cation channel subfamily M member 8 IC50 = 4.0 nM 8.4 Inhibition of TRPM8 (unknown origin) 23121096
Transient receptor potential cation channel subfamily M member 8 IC50 = 4.0 nM 8.4 Functional Assay: For functional expression of TRPM8, the full-length cDNA encod... -
Transient receptor potential cation channel subfamily M member 8 IC50 = 4.0 nM 8.4 Agonist activity at human TRMP8 expressed in HEK293 cells incubated for 24 hrs b... 27437828
Transient receptor potential cation channel subfamily M member 8 IC50 = 5.0 nM 8.3 Functional Assay: For functional expression of TRPM8, the full-length cDNA encod... -

Literature References

PubMed DOI Target Context # Activities
27437828 10.1021/acs.jmedchem.6b00305 Rattus norvegicus 5
27437828 10.1021/acs.jmedchem.6b00305 Transient receptor potential cation channel subfamily M member 8 3
23121096 10.1021/jm3011433 Transient receptor potential cation channel subfamily M member 8 1

Data from ChEMBL 36 via Core Engine