Compound Detail
CHEMBL4584469
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Basic Information
| ChEMBL ID | CHEMBL4584469 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXBDGPGUAURVFE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
5.37
ALogP
4
HBA
1
HBD
59.3
PSA (Ų)
0.63
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.16
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 | 7.16 | 7.16 | 70.0 | 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 | = | 70.0 | nM | 7.16 | 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 | Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) | 2 |
Data from ChEMBL 36 via Core Engine