Compound Detail
CHEMBL44297
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Basic Information
| ChEMBL ID | CHEMBL44297 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVSJHHXUORMCGK-KGLIPLIRSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
1.41
ALogP
5
HBA
1
HBD
90.6
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A-type voltage-gated potassium channel KCND3 CHEMBL1964 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK) CHEMBL2221347 | IC50 | 5.3 | 4.825 | 5000.0 | 2 |
| Potassium voltage-gated channel subfamily KQT member 1 CHEMBL5135 | IC50 | 5.21 | 4.81 | 6200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A-type voltage-gated potassium channel KCND3 | IC50 | = | 1400.0 | nM | 5.85 | The inhibitory concentration for 50% was measured on potassium channel complex | 11356099 |
| Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK) | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of human IKs-channel expressed in Xenopus oocytes,(Experiment 2) | 11689069 |
| Potassium voltage-gated channel subfamily KQT member 1 | IC50 | = | 6200.0 | nM | 5.21 | Inhibition of guinea pig Iks potassium channel expressed in Xenopus oocytes | 14998318 |
| Potassium voltage-gated channel subfamily KQT member 1 | IC50 | = | 39000.0 | nM | 4.41 | Inhibition of guinea pig Iks potassium channel expressed in Xenopus oocytes | 14998318 |
| Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK) | IC50 | = | 44500.0 | nM | 4.35 | Inhibition of human IKs-channel expressed in Xenopus oocytes,(Experiment 1) | 11689069 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14998318 | 10.1021/jm030480f | Potassium voltage-gated channel subfamily KQT member 1 | 2 |
| 11689069 | 10.1021/jm0109255 | Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK) | 2 |
| 11356099 | 10.1021/jm000484+ | A-type voltage-gated potassium channel KCND3 | 1 |
Data from ChEMBL 36 via Core Engine