Compound Detail
CHEMBL3771109
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CC(C(=O)NCc1ccc(C(F)(F)F)nc1N(Cc1ccccc1)S(=O)(=O)C(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL3771109 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIOKDCDGMMAQCW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
630.7
MW (Da)
4.78
ALogP
6
HBA
2
HBD
125.5
PSA (Ų)
0.29
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | Ki | 8.21 | 7.975 | 6.2 | 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 | = | 6.19 | nM | 8.21 | Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition... | 26860926 |
| Transient receptor potential cation channel subfamily V member 1 | Ki | = | 18.1 | nM | 7.74 | Displacement of [3H]RTX from human TRPV1 expressed in CHO cells after 60 mins by... | 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