Compound Detail
CHEMBL4125690
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
CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2cc(F)c(NS(C)(=O)=O)c(F)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL4125690 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIDHAOZPKVBNFE-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
534.5
MW (Da)
4.41
ALogP
5
HBA
2
HBD
91.4
PSA (Ų)
0.51
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.09
Ki 2 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | Ki | 10.0 | 10.0 | 0.1 | 1 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | Ki | 9.7 | 9.7 | 0.2 | 1 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | IC50 | 8.09 | 8.075 | 8.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29884534 | 10.1016/j.bmcl.2018.05.043 | Transient receptor potential cation channel subfamily V member 1 | 4 |
| 29884534 | 10.1016/j.bmcl.2018.05.043 | Rattus norvegicus | 2 |
| 29884534 | 10.1016/j.bmcl.2018.05.043 | Mus musculus | 2 |
Data from ChEMBL 36 via Core Engine