Compound Detail
CHEMBL4287894
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Basic Information
| ChEMBL ID | CHEMBL4287894 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJLHZPFIYHRJJO-QYZOEREBSA-N |
4
Targets
4
Activities
2
Assay Types
1
PK Parameters
7
Publications
0
Known Names
Molecular Properties
393.9
MW (Da)
4.71
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.0
IC50 1 meas. best 6.55
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 | 7.0 | 7.0 | 100.0 | 1 |
| Potassium voltage-gated channel subfamily KQT member 4 CHEMBL3576 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| Voltage-gated potassium channel KCNQ3/KCNQ5 CHEMBL3883311 | EC50 | 6.44 | 6.44 | 360.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 48.0 | mL.min-1.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily KQT member 4 | EC50 | = | 100.0 | nM | 7.0 | Activation of human Kv7.4 by patch clamp method | 30327146 |
| Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) | EC50 | = | 100.0 | nM | 7.0 | Activation of human Kv7.2/7.3 by patch clamp method | 30327146 |
| Unchecked | IC50 | = | 280.0 | nM | 6.55 | Activation of Kv7 from rat cortical neurons assessed as reduction in spontaneous... | 30327146 |
| Voltage-gated potassium channel KCNQ3/KCNQ5 | EC50 | = | 360.0 | nM | 6.44 | Activation of human Kv7.3/7.5 by patch clamp method | 30327146 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30327146 | 10.1016/j.bmcl.2018.09.036 | Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) | 7 |
| 30327146 | 10.1016/j.bmcl.2018.09.036 | Mus musculus | 4 |
| 30327146 | 10.1016/j.bmcl.2018.09.036 | Unchecked | 2 |
| 30327146 | 10.1016/j.bmcl.2018.09.036 | ADMET | 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 | Voltage-gated potassium channel KCNQ3/KCNQ5 | 1 |
| 30327146 | 10.1016/j.bmcl.2018.09.036 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine