Compound Detail
CHEMBL2042152
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COCC1=C(C(=O)N2CCC[C@H]2c2cc(C)no2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1
Basic Information
| ChEMBL ID | CHEMBL2042152 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRTRLPMNYACLOU-PGRDOPGGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
488.4
MW (Da)
4.77
ALogP
7
HBA
1
HBD
85.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 5 CHEMBL4306 | IC50 | 7.16 | 7.16 | 70.0 | 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 | = | 70.0 | nM | 7.16 | 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 | Potassium voltage-gated channel subfamily A member 5 | 1 |
| 22409629 | 10.1021/jm201386u | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine