Compound Detail
CHEMBL279168
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CC[C@@H](C)N1C(=O)C(NC(=O)Cc2ccc(C(F)(F)F)cc2C(F)(F)F)N=C(c2ccccc2)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL279168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKGZWPOMAZZUHB-SIHBAMTISA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
561.5
MW (Da)
6.39
ALogP
3
HBA
1
HBD
61.8
PSA (Ų)
0.35
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | IC50 | 8.43 | 7.895 | 3.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | IC50 | = | 3.7 | nM | 8.43 | Inhibitory concentration against IKs current was measured in isolated guinea pig... | 12643935 |
| Cavia porcellus | IC50 | = | 44.0 | nM | 7.36 | 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