Compound Detail
CHEMBL3353597
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
O=C(O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ncc(C(F)(F)F)cc2Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL3353597 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJGQFZYYEHCCIZ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
5
PK Parameters
20
Publications
0
Known Names
Molecular Properties
554.9
MW (Da)
5.75
ALogP
5
HBA
1
HBD
96.8
PSA (Ų)
0.37
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily M member 8 CHEMBL5011 | IC50 | 8.24 | 8.24 | 5.8 | 1 |
| Transient receptor potential cation channel subfamily M member 8 CHEMBL1075319 | IC50 | 8.08 | 8.08 | 8.3 | 2 |
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 |
| Cmax | 4145.26 | nM | Rattus norvegicus |
| F | 86.0 | % | Rattus norvegicus |
| Fu | 0.0031 | - | 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 | = | 5.8 | nM | 8.24 | Antagonist activity at rat TRPM8 assessed as inhibition of menthol induced Ca2+ ... | 25455182 |
| Transient receptor potential cation channel subfamily M member 8 | IC50 | = | 8.3 | nM | 8.08 | Antagonist activity at human TRPM8 expressed in HEK293 cells assessed as inhibit... | 25455182 |
| Transient receptor potential cation channel subfamily M member 8 | IC50 | = | 8.3 | nM | 8.08 | Antagonist activity at TRPM8 (unknown origin) | 27437828 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | Fibroblast | 5 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 5 |
| - | 10.6019/CHEMBL5303304 | U2OS | 4 |
| 25455182 | 10.1016/j.bmcl.2014.10.074 | Rattus norvegicus | 3 |
| 25455182 | 10.1016/j.bmcl.2014.10.074 | Transient receptor potential cation channel subfamily V member 4 | 3 |
| 25455182 | 10.1016/j.bmcl.2014.10.074 | Liver microsome | 2 |
| 27437828 | 10.1021/acs.jmedchem.6b00305 | Transient receptor potential cation channel subfamily M member 8 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 25455182 | 10.1016/j.bmcl.2014.10.074 | Transient receptor potential cation channel subfamily A member 1 | 2 |
| 25455182 | 10.1016/j.bmcl.2014.10.074 | Transient receptor potential cation channel subfamily M member 8 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 25455182 | 10.1016/j.bmcl.2014.10.074 | Plasma | 1 |
| - | 10.6019/CHEMBL5665443 | Methyl-CpG-binding domain protein 4 | 1 |
| - | 10.6019/CHEMBL5665443 | DNA-3-methyladenine glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | Adenine DNA glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease 8-like 1 | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease 8-like 2 | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease III-like protein 1 | 1 |
Data from ChEMBL 36 via Core Engine