Compound Detail
CHEMBL3684331
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CCCCCCn1nc(C(C)(C)C)cc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL3684331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXCIEPTXZCCLIC-KRWDZBQOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
480.6
MW (Da)
4.69
ALogP
5
HBA
2
HBD
93.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | Ki | 7.84 | 7.84 | 14.5 | 1 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | Ki | 7.56 | 7.56 | 27.7 | 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 | = | 14.5 | nM | 7.84 | FLIPR Assay: The agonistic or antagonistic effect of the substances to be tested... | - |
| Transient receptor potential cation channel subfamily V member 1 | Ki | = | 27.7 | nM | 7.56 | FLIPR Assay: The agonistic or antagonistic effect of the substances to be tested... | - |
Data from ChEMBL 36 via Core Engine