Compound Detail
CHEMBL298475
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Basic Information
| ChEMBL ID | CHEMBL298475 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRZRLJWUQFIZRH-LSDHHAIUSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
411.4
MW (Da)
2.87
ALogP
5
HBA
1
HBD
76.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK) CHEMBL2221347 | IC50 | 6.92 | 6.92 | 120.0 | 2 |
| Potassium voltage-gated channel subfamily KQT member 1 CHEMBL5135 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.9 | 4.9 | 12600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK) | IC50 | = | 120.0 | nM | 6.92 | Inhibition of IKs currents in Xenopus oocytes | 11356099 |
| Potassium voltage-gated channel subfamily KQT member 1 | IC50 | = | 120.0 | nM | 6.92 | Inhibition of guinea pig Iks potassium channel expressed in Xenopus oocytes | 14998318 |
| Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK) | IC50 | = | 120.0 | nM | 6.92 | Inhibition of human IKs-channel expressed in Xenopus oocytes | 11689069 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 12600.0 | nM | 4.9 | Inhibitory concentration against IKr potassium channel | 15324906 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11356099 | 10.1021/jm000484+ | Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK) | 1 |
| 11356099 | 10.1021/jm000484+ | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 14998318 | 10.1021/jm030480f | Potassium voltage-gated channel subfamily KQT member 1 | 1 |
| 11689069 | 10.1021/jm0109255 | Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK) | 1 |
| 15324906 | 10.1016/j.bmcl.2004.06.070 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine