Compound Detail
CHEMBL402146
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Basic Information
| ChEMBL ID | CHEMBL402146 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDGUOCFTHNGPBK-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
268.6
MW (Da)
3.27
ALogP
2
HBA
1
HBD
42.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.42
IC50 1 meas. best 4.39
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 | 6.42 | 6.38 | 380.0 | 2 |
| Potassium voltage-gated channel subfamily KQT member 2 CHEMBL5530 | EC50 | 4.84 | 4.84 | 14400.0 | 1 |
| Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK) CHEMBL2221347 | IC50 | 4.39 | 4.39 | 41000.0 | 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 | = | 380.0 | nM | 6.42 | Agonist activity at KCNQ2/KCNQ3 expressed in CHO cells assessed as increase in K... | 24900334 |
| Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) | EC50 | = | 460.0 | nM | 6.34 | Activation of human Kv7.2/7.3 by patch clamp method | 30327146 |
| Potassium voltage-gated channel subfamily KQT member 2 | EC50 | = | 14400.0 | nM | 4.84 | PUBCHEM_BIOASSAY: Mode of action assay - current amplitude concentration respons... | - |
| Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK) | IC50 | = | 41000.0 | nM | 4.39 | Antagonist activity at KCNQ1/MINK expressed in CHO cells assessed as inhibition ... | 24900334 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900334 | 10.1021/ml200053x | Rattus norvegicus | 4 |
| 31815462 | 10.1021/acs.jmedchem.9b00796 | Potassium voltage-gated channel subfamily KQT member 2 | 4 |
| 17489574 | 10.1021/jm060989l | Rattus norvegicus | 3 |
| - | 10.6019/CHEMBL3301361 | ADMET | 2 |
| 30327146 | 10.1016/j.bmcl.2018.09.036 | Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) | 2 |
| 30327146 | 10.1016/j.bmcl.2018.09.036 | Mus musculus | 2 |
| 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 | Cynomolgus monkey | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| 30327146 | 10.1016/j.bmcl.2018.09.036 | Voltage-gated potassium channel KCNQ3/KCNQ5 | 1 |
| 30327146 | 10.1016/j.bmcl.2018.09.036 | Potassium voltage-gated channel subfamily KQT member 4 | 1 |
| 30327146 | 10.1016/j.bmcl.2018.09.036 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine