Compound Detail
CHEMBL3689046
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C[C@H](C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL3689046 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REFSKWWRGFCGDO-LBPRGKRZSA-N |
2
Targets
9
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
518.9
MW (Da)
4.48
ALogP
5
HBA
2
HBD
93.1
PSA (Ų)
0.45
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 10.0
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | Ki | 10.0 | 9.88 | 0.1 | 4 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | Ki | 10.0 | 10.0 | 0.1 | 2 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | IC50 | 8.1 | 8.0967 | 8.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28838698 | 10.1016/j.bmcl.2017.08.020 | Transient receptor potential cation channel subfamily V member 1 | 5 |
| 28838698 | 10.1016/j.bmcl.2017.08.020 | Mus musculus | 1 |
| 34273488 | 10.1016/j.bmcl.2021.128266 | Transient receptor potential cation channel subfamily V member 1 | 1 |
Data from ChEMBL 36 via Core Engine