Compound Detail
CHEMBL3947801
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Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(OC(F)(F)F)c(F)c4)cs3)ccnc2n(C)c1=O
Basic Information
| ChEMBL ID | CHEMBL3947801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGGVBMYIXILZHA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
509.4
MW (Da)
2.97
ALogP
9
HBA
1
HBD
108.1
PSA (Ų)
0.41
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | IC50 | 7.94 | 7.94 | 11.4 | 1 |
| Transient receptor potential cation channel subfamily V member 4 CHEMBL3119 | IC50 | 6.8 | 6.8 | 158.4 | 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 | = | 11.45 | nM | 7.94 | Radiometric Calcium Assay: The inhibition of TRPA1 receptor activation was measu... | - |
| Transient receptor potential cation channel subfamily V member 4 | IC50 | = | 158.4 | nM | 6.8 | Radiometric Calcium Assay: The inhibition of TRPA1 receptor activation was measu... | - |
Data from ChEMBL 36 via Core Engine