Compound Detail
CHEMBL3689061
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CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1ccccn1)c1ccc(CNS(C)(=O)=O)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL3689061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GAQKKXSOZACJEQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
487.6
MW (Da)
3.17
ALogP
6
HBA
2
HBD
106.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | Ki | 7.24 | 7.24 | 58.1 | 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 | = | 58.1 | nM | 7.24 | FLIPR Assay: The agonistic or antagonistic effect of the substances to be tested... | - |
Data from ChEMBL 36 via Core Engine