Compound Detail
CHEMBL2042157
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CC1=C(C(=O)N2CCC[C@H]2c2cc(C)no2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nc(C)cc2N1
Basic Information
| ChEMBL ID | CHEMBL2042157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVGLJLNVADQXKJ-PGRDOPGGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
472.4
MW (Da)
5.45
ALogP
6
HBA
1
HBD
76.2
PSA (Ų)
0.55
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 5 CHEMBL4306 | IC50 | 6.78 | 6.78 | 165.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 5 | IC50 | = | 165.0 | nM | 6.78 | Inhibition of human KV1.5 ion channel expressed in mouse L929 cells by whole cel... | 22409629 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22409629 | 10.1021/jm201386u | Liver microsomes | 2 |
| 22409629 | 10.1021/jm201386u | Potassium voltage-gated channel subfamily A member 5 | 1 |
| 22409629 | 10.1021/jm201386u | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 22409629 | 10.1021/jm201386u | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine