Compound Detail
CHEMBL3689067
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CC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1ccc(C(F)(F)F)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL3689067 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVEMIXUBIITKHD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
493.8
MW (Da)
6.12
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | Ki | 7.87 | 7.87 | 13.6 | 1 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | Ki | 7.59 | 7.59 | 25.5 | 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 | = | 13.6 | nM | 7.87 | FLIPR Assay: The agonistic or antagonistic effect of the substances to be tested... | - |
| Transient receptor potential cation channel subfamily V member 1 | Ki | = | 25.5 | nM | 7.59 | FLIPR Assay: The agonistic or antagonistic effect of the substances to be tested... | - |
Data from ChEMBL 36 via Core Engine