Compound Detail
CHEMBL353985
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Basic Information
| ChEMBL ID | CHEMBL353985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOQHJQODUHVVEV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
2.21
ALogP
7
HBA
2
HBD
103.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 1000.0 | nM | 6.0 | Inhibitory concentration against IKr potassium channel | 15324906 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9990462 | 10.1016/s0960-894x(98)00689-1 | Cavia porcellus | 4 |
| 9990462 | 10.1016/s0960-894x(98)00689-1 | Unchecked | 2 |
| 15324906 | 10.1016/j.bmcl.2004.06.070 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine