Compound Detail
CHEMBL277513
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CC[C@@H](C)N1C(=O)C(NC(=O)Cc2ccc(C(F)(F)F)cc2C(F)(F)F)N=C(C2CC2)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL277513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDXGUFSOGNILEP-PDNQZYNLSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
525.5
MW (Da)
5.75
ALogP
3
HBA
1
HBD
61.8
PSA (Ų)
0.49
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | IC50 | 10.1 | 8.7 | 0.1 | 2 |
| Unchecked CHEMBL612545 | IC50 | 10.1 | 10.1 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | IC50 | = | 0.08 | nM | 10.1 | Inhibitory concentration against IKs current was measured in isolated guinea pig... | 12643935 |
| Unchecked | IC50 | = | 0.08 | nM | 10.1 | Inhibition of IKs in guinea pig myocytes by voltage clamp method | 27299736 |
| Cavia porcellus | IC50 | = | 50.0 | nM | 7.3 | 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 | Canis familiaris | 6 |
| 12643935 | 10.1016/s0960-894x(03)00049-0 | Cavia porcellus | 4 |
| 27299736 | 10.1021/acs.jmedchem.6b00472 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine