Compound Detail
CHEMBL3974529
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
Cc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(C(=O)O)cc2)sc2ccccc12
Basic Information
| ChEMBL ID | CHEMBL3974529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZOVCAUOKWYQTD-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
521.5
MW (Da)
6.20
ALogP
5
HBA
1
HBD
83.9
PSA (Ų)
0.31
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential M8 protein CHEMBL1667665 | IC50 | 9.74 | 9.3667 | 0.2 | 3 |
| Transient receptor potential cation channel subfamily M member 8 CHEMBL1075319 | IC50 | 8.85 | 8.795 | 1.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential M8 protein | IC50 | = | 0.183 | nM | 9.74 | Patch Clamp Assay: For patch clamp experiments, HEK293 cells are stably transfec... | - |
| Transient receptor potential M8 protein | IC50 | = | 0.554 | nM | 9.26 | Patch Clamp Assay: For patch clamp experiments, HEK293 cells are stably transfec... | - |
| 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 cation channel subfamily M member 8 | IC50 | = | 1.4 | nM | 8.85 | Functional Assay: For functional expression of TRPM8, the full-length cDNA encod... | - |
| Transient receptor potential cation channel subfamily M member 8 | IC50 | = | 1.8 | nM | 8.74 | Functional Assay: For functional expression of TRPM8, the full-length cDNA encod... | - |
Data from ChEMBL 36 via Core Engine