Compound Detail
CHEMBL3353610
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(C(F)(F)F)c(F)c2)S(=O)(=O)c2ccc(C(=O)O)cc2)sc2ccccc12
Basic Information
| ChEMBL ID | CHEMBL3353610 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRMGLSYPKLTVCT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
2
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 |
Activity Summary
IC50 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential M8 protein CHEMBL1667665 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
| Transient receptor potential cation channel subfamily M member 8 CHEMBL1075319 | IC50 | 8.21 | 8.21 | 6.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 8.5 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential M8 protein | IC50 | = | 0.4 | nM | 9.4 | Functional Assay: The functional activity of compounds of the formula (I) was de... | - |
| Transient receptor potential cation channel subfamily M member 8 | IC50 | = | 6.2 | nM | 8.21 | 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 | Liver microsome | 1 |
| 25455182 | 10.1016/j.bmcl.2014.10.074 | Transient receptor potential cation channel subfamily M member 8 | 1 |
Data from ChEMBL 36 via Core Engine