Compound Detail
CHEMBL3956711
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
Cn1c(=O)c2c(CC(=O)Nc3nc(-c4cccc(C(F)(F)F)c4)cs3)cccc2n(C)c1=O
Basic Information
| ChEMBL ID | CHEMBL3956711 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRWIKIYEWODHPQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
474.5
MW (Da)
3.56
ALogP
7
HBA
1
HBD
86.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | IC50 | 7.32 | 7.32 | 47.4 | 1 |
| Transient receptor potential cation channel subfamily V member 4 CHEMBL3119 | IC50 | 5.73 | 5.73 | 1870.0 | 1 |
| Transient receptor potential cation channel subfamily V member 3 CHEMBL5522 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 | IC50 | = | 47.37 | nM | 7.32 | Radiometric Calcium Assay: The inhibition of TRPA1 receptor activation was measu... | - |
| Transient receptor potential cation channel subfamily V member 4 | IC50 | = | 1870.0 | nM | 5.73 | Radiometric Calcium Assay: The inhibition of TRPA1 receptor activation was measu... | - |
| Transient receptor potential cation channel subfamily V member 3 | IC50 | = | 2100.0 | nM | 5.68 | Radiometric Calcium Assay: The inhibition of TRPA1 receptor activation was measu... | - |
Data from ChEMBL 36 via Core Engine