Compound Detail
CHEMBL3353601
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CC(C)(c1ccc(CN(c2ncc(C(F)(F)F)cc2Cl)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL3353601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVGWRROBXZESQK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
580.9
MW (Da)
6.69
ALogP
4
HBA
1
HBD
87.6
PSA (Ų)
0.31
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily M member 8 CHEMBL1075319 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 26.7 | 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 cation channel subfamily M member 8 | IC50 | = | 3.3 | nM | 8.48 | 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