Compound Detail
CHEMBL3694596
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CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2cccc(CNS(C)(=O)=O)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL3694596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPENNJLLXZGIMX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
512.6
MW (Da)
3.81
ALogP
5
HBA
2
HBD
91.4
PSA (Ų)
0.56
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | Ki | 6.99 | 6.99 | 102.0 | 1 |
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 | = | 102.0 | nM | 6.99 | FLIPR Assay: The FLIPR protocol consists of 2 substance additions. First the com... | - |
Data from ChEMBL 36 via Core Engine