Compound Detail
CHEMBL4549229
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 | CHEMBL4549229 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGMYAHJROPECLZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
1
PK Parameters
9
Publications
0
Known Names
Molecular Properties
372.3
MW (Da)
4.00
ALogP
5
HBA
3
HBD
89.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily KQT member 5 CHEMBL2925 | EC50 | 6.27 | 6.27 | 540.0 | 1 |
| Potassium voltage-gated channel subfamily KQT member 4 CHEMBL3576 | EC50 | 6.18 | 6.18 | 660.0 | 1 |
| Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) CHEMBL2221348 | EC50 | 5.47 | 5.47 | 3360.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 6.767 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily KQT member 5 | EC50 | = | 540.0 | nM | 6.27 | Agonist activity at Kv7.5 (unknown origin) expressed in CHO cells co-expressing ... | 35671848 |
| Potassium voltage-gated channel subfamily KQT member 4 | EC50 | = | 660.0 | nM | 6.18 | Agonist activity at Kv7.4 (unknown origin) expressed in CHO cells co-expressing ... | 35671848 |
| Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) | EC50 | = | 3360.0 | nM | 5.47 | Agonist activity at Kv7.2/3 (unknown origin) expressed in CHO cells co-expressin... | 35671848 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31223450 | 10.1021/acsmedchemlett.9b00097 | Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) | 1 |
| 31223450 | 10.1021/acsmedchemlett.9b00097 | Voltage-gated potassium channel KCNQ3/KCNQ5 | 1 |
| 31223450 | 10.1021/acsmedchemlett.9b00097 | Potassium voltage-gated channel subfamily KQT member 4 | 1 |
| 31223450 | 10.1021/acsmedchemlett.9b00097 | KCNQ4/KCNQ5 | 1 |
| 31223450 | 10.1021/acsmedchemlett.9b00097 | Unchecked | 1 |
| 31223450 | 10.1021/acsmedchemlett.9b00097 | ADMET | 1 |
| 35671848 | 10.1016/j.bmcl.2022.128841 | Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) | 1 |
| 35671848 | 10.1016/j.bmcl.2022.128841 | Potassium voltage-gated channel subfamily KQT member 4 | 1 |
| 35671848 | 10.1016/j.bmcl.2022.128841 | Potassium voltage-gated channel subfamily KQT member 5 | 1 |
Data from ChEMBL 36 via Core Engine