Compound Detail
CHEMBL3770670
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CC(C(=O)NCc1ccc(C(F)(F)F)nc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL3770670 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABKAFFVQIAVZDC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
717.1
MW (Da)
6.22
ALogP
6
HBA
2
HBD
125.5
PSA (Ų)
0.18
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | Ki | 9.05 | 8.635 | 0.9 | 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 | = | 0.9 | nM | 9.05 | Displacement of [3H]RTX from human TRPV1 expressed in CHO cells after 60 mins by... | 26860926 |
| Transient receptor potential cation channel subfamily V member 1 | Ki | = | 6.0 | nM | 8.22 | Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition... | 26860926 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26860926 | 10.1016/j.bmc.2016.01.051 | Transient receptor potential cation channel subfamily V member 1 | 3 |
Data from ChEMBL 36 via Core Engine