Compound Detail
CHEMBL3353609
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O=C(O)c1ccc(S(=O)(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ncc(Cl)cc2Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL3353609 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMSUMMIXTLRWFY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
505.3
MW (Da)
5.50
ALogP
4
HBA
1
HBD
87.6
PSA (Ų)
0.48
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily M member 8 CHEMBL5011 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Transient receptor potential cation channel subfamily M member 8 CHEMBL1075319 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 7.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 10.4 | mL.min-1.kg-1 | Rattus norvegicus |
| Fu | 0.011 | - | Rattus norvegicus |
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 | = | 9.0 | nM | 8.05 | Antagonist activity at rat TRPM8 assessed as inhibition of menthol induced Ca2+ ... | 25455182 |
| Transient receptor potential cation channel subfamily M member 8 | IC50 | = | 11.0 | nM | 7.96 | 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 | 2 |
| 25455182 | 10.1016/j.bmcl.2014.10.074 | Liver microsome | 2 |
| 25455182 | 10.1016/j.bmcl.2014.10.074 | Rattus norvegicus | 1 |
| 25455182 | 10.1016/j.bmcl.2014.10.074 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine