Compound Detail
CHEMBL3822772
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CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)N(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL3822772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSEUAQOGDNNXRK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
517.5
MW (Da)
4.19
ALogP
5
HBA
2
HBD
94.6
PSA (Ų)
0.56
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | Ki | 7.23 | 6.585 | 59.0 | 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 | = | 59.0 | nM | 7.23 | Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition... | 27317643 |
| Transient receptor potential cation channel subfamily V member 1 | Ki | = | 1160.0 | nM | 5.94 | Displacement of [3H]-resiniferatoxin from human TRPV1 expressed in CHO cells inc... | 27317643 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27317643 | 10.1016/j.bmcl.2016.06.010 | Transient receptor potential cation channel subfamily V member 1 | 3 |
Data from ChEMBL 36 via Core Engine