Compound Detail
CHEMBL3689033
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CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL3689033 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWTGCQCBARJVGY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
528.7
MW (Da)
5.40
ALogP
5
HBA
2
HBD
93.1
PSA (Ų)
0.43
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | Ki | 7.59 | 7.59 | 25.9 | 1 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | Ki | 7.12 | 7.12 | 75.2 | 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 | = | 25.9 | nM | 7.59 | FLIPR Assay: The agonistic or antagonistic effect of the substances to be tested... | - |
| Transient receptor potential cation channel subfamily V member 1 | Ki | = | 75.2 | nM | 7.12 | FLIPR Assay: The agonistic or antagonistic effect of the substances to be tested... | - |
| Transient receptor potential cation channel subfamily V member 1 | Ki | = | 75.2 | nM | 7.12 | 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