Compound Detail
CHEMBL3689035
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@H](C(=O)NCc1cc(C(C)(C)C)nn1-c1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL3689035 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIBSWPPDDLFJFV-HNNXBMFYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
507.0
MW (Da)
4.75
ALogP
5
HBA
2
HBD
93.1
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | Ki | 8.68 | 8.68 | 2.1 | 1 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | Ki | 8.6 | 8.6 | 2.5 | 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 | = | 2.1 | nM | 8.68 | FLIPR Assay: The agonistic or antagonistic effect of the substances to be tested... | - |
| Transient receptor potential cation channel subfamily V member 1 | Ki | = | 2.5 | nM | 8.6 | FLIPR Assay: The agonistic or antagonistic effect of the substances to be tested... | - |
Data from ChEMBL 36 via Core Engine