Compound Detail
CHEMBL277609
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CC(C)C1=NC(NC(=O)Cc2ccc(C(F)(F)F)cc2C(F)(F)F)C(=O)N(CC(F)(F)F)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL277609 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDOIWTMPMNKHOW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
553.4
MW (Da)
5.76
ALogP
3
HBA
1
HBD
61.8
PSA (Ų)
0.48
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | IC50 | = | 6.0 | nM | 8.22 | Inhibitory concentration against IKs current was measured in isolated guinea pig... | 12643935 |
| Unchecked | IC50 | = | 6.0 | nM | 8.22 | Inhibition of IKs in guinea pig myocytes by voltage clamp method | 27299736 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12643935 | 10.1016/s0960-894x(03)00049-0 | Cavia porcellus | 2 |
| 27299736 | 10.1021/acs.jmedchem.6b00472 | Unchecked | 2 |
| 12643935 | 10.1016/s0960-894x(03)00049-0 | ADMET | 1 |
| 27299736 | 10.1021/acs.jmedchem.6b00472 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine