Compound Detail
CHEMBL229162
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CC(C)(C)c1ccc(CNC(=S)NC(Cc2ccccc2)c2ccc(NS(C)(=O)=O)c(F)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL229162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZHYGUFQKPLWOR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
513.7
MW (Da)
5.44
ALogP
3
HBA
3
HBD
70.2
PSA (Ų)
0.35
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | Ki | 6.16 | 5.96 | 700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 | Ki | = | 700.0 | nM | 6.16 | Antagonist activity at rat TRPV1 receptor expressed in CHO cells by Ca2+ uptake ... | 17629487 |
| Transient receptor potential cation channel subfamily V member 1 | Ki | = | 1740.0 | nM | 5.76 | Displacement of [3H]RTX from rat TRPV1 receptor expressed in CHO cells | 17629487 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17629487 | 10.1016/j.bmc.2007.06.041 | Transient receptor potential cation channel subfamily V member 1 | 3 |
Data from ChEMBL 36 via Core Engine