Compound Detail
CHEMBL253392
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CC(C)(C)C(=O)OCC(CNC(=S)NCc1ccc(NS(C)(=O)=O)c(F)c1)Cc1ccc(C(C)(C)C)cc1
Basic Information
| ChEMBL ID | CHEMBL253392 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHEXBBPSQHCXFU-UHFFFAOYSA-N |
2
Targets
8
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
565.8
MW (Da)
4.91
ALogP
5
HBA
3
HBD
96.5
PSA (Ų)
0.28
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 7.65
IC50 1 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | Ki | 7.65 | 7.502 | 22.6 | 5 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | Ki | 7.64 | 7.275 | 23.0 | 2 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15081027 | 10.1016/j.bmcl.2004.02.002 | Transient receptor potential cation channel subfamily V member 1 | 4 |
| 18072720 | 10.1021/jm701049p | Transient receptor potential cation channel subfamily V member 1 | 3 |
| 22546668 | 10.1016/j.bmcl.2012.04.034 | Transient receptor potential cation channel subfamily V member 1 | 3 |
| 24321344 | 10.1016/j.bmcl.2013.10.064 | Transient receptor potential cation channel subfamily V member 1 | 3 |
Data from ChEMBL 36 via Core Engine