Compound Detail
CHEMBL2147028
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2147028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPWMAOSJDRLCFE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
4
Publications
0
Known Names
Molecular Properties
392.4
MW (Da)
4.67
ALogP
5
HBA
1
HBD
68.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.39
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 | 6.39 | 6.39 | 410.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 706.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 13.33 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 56.0 | % | Rattus norvegicus |
| T1/2 | 1.9 | hr | Rattus norvegicus |
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 human KCNQ2/3 expressed in HEK293 cells by FLIPR based thall... | 31416667 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31416667 | 10.1016/j.bmcl.2019.08.007 | ADMET | 5 |
| 31416667 | 10.1016/j.bmcl.2019.08.007 | Rattus norvegicus | 4 |
| 31416667 | 10.1016/j.bmcl.2019.08.007 | Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) | 2 |
| 24900517 | 10.1021/ml300154z | Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) | 1 |
Data from ChEMBL 36 via Core Engine