Compound Detail
CHEMBL3896353
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CCc1sc2c(c1CC(=O)Nc1nc(-c3cc(F)c(OCC(F)(F)F)c(F)c3)cs1)c(=O)n(C)c(=O)n2C
Basic Information
| ChEMBL ID | CHEMBL3896353 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKKIGRUIKFFWQO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
574.5
MW (Da)
4.39
ALogP
9
HBA
1
HBD
95.2
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | IC50 | 8.4 | 8.4 | 4.0 | 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 | = | 3.98 | nM | 8.4 | Radiometric Calcium Assay: The inhibition of TRPA1 receptor activation was measu... | - |
Data from ChEMBL 36 via Core Engine