Compound Detail
CHEMBL3894956
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
CCc1sc2c(c1CC(=O)Nc1nc(-c3ccc(C(F)(F)F)c(F)c3)cs1)c(=O)n(C)c(=O)n2C
Basic Information
| ChEMBL ID | CHEMBL3894956 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCUITVGIDVPEJI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
526.5
MW (Da)
4.32
ALogP
8
HBA
1
HBD
86.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | IC50 | 7.78 | 7.78 | 16.7 | 1 |
| Transient receptor potential cation channel subfamily V member 4 CHEMBL3119 | IC50 | 5.05 | 5.05 | 8890.0 | 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 | = | 16.73 | nM | 7.78 | Radiometric Calcium Assay: The inhibition of TRPA1 receptor activation was measu... | - |
| Transient receptor potential cation channel subfamily V member 4 | IC50 | = | 8890.0 | nM | 5.05 | Radiometric Calcium Assay: The inhibition of TRPA1 receptor activation was measu... | - |
Data from ChEMBL 36 via Core Engine