Compound Detail
CHEMBL3689038
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CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1ccc(F)c(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL3689038 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDDMRDVWFRNVPI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
525.0
MW (Da)
4.89
ALogP
5
HBA
2
HBD
93.1
PSA (Ų)
0.46
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | Ki | 9.3 | 9.3 | 0.5 | 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 | = | 0.5 | nM | 9.3 | FLIPR Assay: The agonistic or antagonistic effect of the substances to be tested... | - |
| Transient receptor potential cation channel subfamily V member 1 | Ki | = | 0.5 | nM | 9.3 | Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition... | 28838698 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28838698 | 10.1016/j.bmcl.2017.08.020 | Transient receptor potential cation channel subfamily V member 1 | 1 |
Data from ChEMBL 36 via Core Engine