Compound Detail
CHEMBL4450214
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C#CCN(Cc1ccc(F)cc1)c1ccc(NC(=O)OC(C)(C)C)c(NC(=O)OC(C)(C)C)c1
Basic Information
| ChEMBL ID | CHEMBL4450214 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWGLOYVKHMTDFT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
469.6
MW (Da)
6.16
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily KQT member 4 CHEMBL3576 | EC50 | 5.69 | 5.69 | 2030.0 | 1 |
| Potassium voltage-gated channel subfamily KQT member 5 CHEMBL2925 | EC50 | 5.61 | 5.61 | 2430.0 | 1 |
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 | = | 2030.0 | nM | 5.69 | Agonist activity at human KCNQ4 expressed in CHOK1 cells by whole cell patch cla... | 30655942 |
| Potassium voltage-gated channel subfamily KQT member 5 | EC50 | = | 2430.0 | nM | 5.61 | Agonist activity at human KCNQ5 expressed in CHOK1 cells by whole cell patch cla... | 30655942 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30655942 | 10.1021/acsmedchemlett.8b00315 | Potassium voltage-gated channel subfamily KQT member 2 | 2 |
| 30655942 | 10.1021/acsmedchemlett.8b00315 | Potassium voltage-gated channel subfamily KQT member 4 | 2 |
| 30655942 | 10.1021/acsmedchemlett.8b00315 | Potassium voltage-gated channel subfamily KQT member 5 | 2 |
Data from ChEMBL 36 via Core Engine