Compound Detail
CHEMBL3905801
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Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(F)c(C(F)(F)F)c4F)cs3)csc2n(C)c1=O
Basic Information
| ChEMBL ID | CHEMBL3905801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOPMVFNBFICPDB-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
516.5
MW (Da)
3.90
ALogP
8
HBA
1
HBD
86.0
PSA (Ų)
0.42
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | IC50 | 8.6 | 7.36 | 2.5 | 3 |
| Transient receptor potential cation channel subfamily V member 3 CHEMBL5522 | IC50 | 5.6 | 5.6 | 2520.0 | 1 |
| Transient receptor potential cation channel subfamily V member 4 CHEMBL3119 | IC50 | 5.52 | 5.43 | 3040.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36622903 | 10.1021/acs.jmedchem.2c01830 | Unchecked | 5 |
| 36622903 | 10.1021/acs.jmedchem.2c01830 | Transient receptor potential cation channel subfamily A member 1 | 1 |
Data from ChEMBL 36 via Core Engine