Compound Detail
CHEMBL279169
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CN1C(=O)C(NC(=O)Cc2ccc(C(F)(F)F)cc2C(F)(F)F)N=C(C2CC2)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL279169 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQGGRSQXWLHVRA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
483.4
MW (Da)
4.58
ALogP
3
HBA
1
HBD
61.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | IC50 | 7.42 | 6.985 | 38.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | IC50 | = | 38.0 | nM | 7.42 | Inhibitory concentration against IKs current was measured in isolated guinea pig... | 12643935 |
| Cavia porcellus | IC50 | = | 280.0 | nM | 6.55 | Inhibitory concentration against IKs current was measured in isolated guinea pig... | 12643935 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12643935 | 10.1016/s0960-894x(03)00049-0 | Cavia porcellus | 4 |
Data from ChEMBL 36 via Core Engine