Compound Detail
CHEMBL2047524
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Basic Information
| ChEMBL ID | CHEMBL2047524 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDLJBJHIRTYQIG-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
286.1
MW (Da)
3.17
ALogP
3
HBA
1
HBD
54.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.39
IC50 1 meas. best 4.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) CHEMBL2221348 | EC50 | 6.39 | 6.39 | 410.0 | 1 |
| Voltage-gated potassium channel KCNQ3/KCNQ5 CHEMBL3883311 | EC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK) CHEMBL2221347 | IC50 | 4.31 | 4.31 | 49000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) | EC50 | = | 410.0 | nM | 6.39 | Agonist activity at KCNQ2/KCNQ3 expressed in CHO cells assessed as increase in K... | 24900334 |
| Voltage-gated potassium channel KCNQ3/KCNQ5 | EC50 | = | 9000.0 | nM | 5.05 | Agonist activity at KCNQ3/KCNQ5 expressed in CHO cells increase in KCl-induced 8... | 24900334 |
| Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK) | IC50 | = | 49000.0 | nM | 4.31 | Antagonist activity at KCNQ1/MINK expressed in CHO cells assessed as inhibition ... | 24900334 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900334 | 10.1021/ml200053x | Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) | 1 |
| 24900334 | 10.1021/ml200053x | Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK) | 1 |
| 24900334 | 10.1021/ml200053x | Voltage-gated potassium channel KCNQ3/KCNQ5 | 1 |
Data from ChEMBL 36 via Core Engine