Compound Detail
CHEMBL3689056
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CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1ccc(N2CCCS2(=O)=O)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL3689056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GEBGGCSWOMBQFJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
533.1
MW (Da)
4.92
ALogP
5
HBA
1
HBD
84.3
PSA (Ų)
0.49
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | Ki | 6.94 | 6.94 | 114.0 | 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 | = | 114.0 | nM | 6.94 | FLIPR Assay: The agonistic or antagonistic effect of the substances to be tested... | - |
Data from ChEMBL 36 via Core Engine