Compound Detail
CHEMBL3981050
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Cn1c(=O)c2c(CC(=O)Nc3nc(-c4cc(F)c(CCC(F)(F)F)c(F)c4)cs3)coc2n(C)c1=O
Basic Information
| ChEMBL ID | CHEMBL3981050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBACLEGKEWSXLI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
528.5
MW (Da)
3.91
ALogP
8
HBA
1
HBD
99.1
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | IC50 | 8.47 | 8.47 | 3.4 | 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 | = | 3.38 | nM | 8.47 | Radiometric Calcium Assay: The inhibition of TRPA1 receptor activation was measu... | - |
Data from ChEMBL 36 via Core Engine