Compound Detail
CHEMBL3689047
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COc1cc(C(C)C(=O)NCc2cc(C(C)(C)C)nn2-c2cccc(Cl)c2)ccc1NS(C)(=O)=O
Basic Information
| ChEMBL ID | CHEMBL3689047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPVQGKJHURIMIH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
519.1
MW (Da)
4.62
ALogP
6
HBA
2
HBD
102.3
PSA (Ų)
0.45
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | Ki | 8.92 | 8.92 | 1.2 | 1 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | Ki | 8.66 | 8.66 | 2.2 | 1 |
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 | = | 1.2 | nM | 8.92 | FLIPR Assay: The agonistic or antagonistic effect of the substances to be tested... | - |
| Transient receptor potential cation channel subfamily V member 1 | Ki | = | 2.2 | nM | 8.66 | FLIPR Assay: The agonistic or antagonistic effect of the substances to be tested... | - |
Data from ChEMBL 36 via Core Engine