Compound Detail
CHEMBL1417584
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Basic Information
| ChEMBL ID | CHEMBL1417584 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYNRZIFBTOUICE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
291.4
MW (Da)
3.49
ALogP
4
HBA
2
HBD
66.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium channel subfamily K member 2 CHEMBL2321615 | EC50 | 5.28 | 5.28 | 5200.0 | 1 |
| Potassium channel subfamily K member 18 CHEMBL2331042 | EC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Potassium channel subfamily K member 10 CHEMBL2331041 | EC50 | 5.11 | 5.11 | 7700.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.001 | - | Homo sapiens |
| Fu | 0.001 | - | Rattus norvegicus |
| T1/2 | 0.05 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium channel subfamily K member 2 | EC50 | = | 5200.0 | nM | 5.28 | Activation of human TREK1 by thallium flux mobilization assay | 31072652 |
| Potassium channel subfamily K member 18 | EC50 | = | 6000.0 | nM | 5.22 | Activation of human TRESK channel relative to control | 27641472 |
| Potassium channel subfamily K member 10 | EC50 | = | 7700.0 | nM | 5.11 | Activation of human TREK2 by thallium flux mobilization assay | 31072652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31072652 | 10.1016/j.bmcl.2019.04.048 | ADMET | 3 |
| 27641472 | 10.1016/j.bmcl.2016.09.020 | Potassium channel subfamily K member 18 | 2 |
| 31072652 | 10.1016/j.bmcl.2019.04.048 | Potassium channel subfamily K member 10 | 2 |
| 31072652 | 10.1016/j.bmcl.2019.04.048 | Potassium channel subfamily K member 2 | 2 |
| 35878013 | 10.1021/acs.jmedchem.1c02115 | Potassium channel subfamily K member 2 | 1 |
Data from ChEMBL 36 via Core Engine