Compound Detail
CHEMBL428691
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O=C(Cc1ccc(C(F)(F)F)cc1C(F)(F)F)NC1N=C(C2CC2)c2ccccc2N(CC(F)(F)F)C1=O
Basic Information
| ChEMBL ID | CHEMBL428691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCWYJSHRCVGAFM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
551.4
MW (Da)
5.52
ALogP
3
HBA
1
HBD
61.8
PSA (Ų)
0.50
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | IC50 | = | 1.5 | nM | 8.82 | Inhibitory concentration against IKs current was measured in isolated guinea pig... | 12643935 |
| Unchecked | IC50 | = | 1.5 | nM | 8.82 | 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