Compound Detail
CHEMBL4759521
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Basic Information
| ChEMBL ID | CHEMBL4759521 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIWMAACCICFCDQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
6
PK Parameters
20
Publications
0
Known Names
Molecular Properties
438.2
MW (Da)
5.15
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.51
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium channel subfamily K member 10 CHEMBL2331041 | EC50 | 5.26 | 5.26 | 5500.0 | 1 |
| Potassium channel subfamily K member 2 CHEMBL2321615 | EC50 | 5.21 | 5.21 | 6100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 26554.92 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 8800.0 | nM | Rattus norvegicus |
| Fu | 0.052 | - | Mus musculus |
| Fu | 0.003 | - | Homo sapiens |
| Fu | 0.041 | - | Rattus norvegicus |
| T1/2 | 6.3 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium channel subfamily K member 10 | EC50 | = | 5500.0 | nM | 5.26 | Activation of human TREK2 by thallium flux mobilization assay | 31072652 |
| Potassium channel subfamily K member 2 | EC50 | = | 6100.0 | nM | 5.21 | Activation of human TREK1 by thallium flux mobilization assay | 31072652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31072652 | 10.1016/j.bmcl.2019.04.048 | ADMET | 6 |
| 31072652 | 10.1016/j.bmcl.2019.04.048 | Unchecked | 3 |
| 31072652 | 10.1016/j.bmcl.2019.04.048 | Potassium channel subfamily K member 2 | 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 voltage-gated channel subfamily KQT member 1 | 1 |
| 31072652 | 10.1016/j.bmcl.2019.04.048 | Sodium-dependent noradrenaline transporter | 1 |
| 31072652 | 10.1016/j.bmcl.2019.04.048 | Sodium-dependent dopamine transporter | 1 |
| 31072652 | 10.1016/j.bmcl.2019.04.048 | Intermediate conductance calcium-activated potassium channel protein 4 | 1 |
| 31072652 | 10.1016/j.bmcl.2019.04.048 | Potassium voltage-gated channel subfamily A member 3 | 1 |
| 31072652 | 10.1016/j.bmcl.2019.04.048 | A-type voltage-gated potassium channel KCND3 | 1 |
| 31072652 | 10.1016/j.bmcl.2019.04.048 | A-type potassium channel modulatory protein KCNIP2 | 1 |
| 31072652 | 10.1016/j.bmcl.2019.04.048 | Potassium voltage-gated channel subfamily KQT member 2 | 1 |
| 31072652 | 10.1016/j.bmcl.2019.04.048 | 5-hydroxytryptamine receptor 1A | 1 |
| 31072652 | 10.1016/j.bmcl.2019.04.048 | Potassium voltage-gated channel subfamily KQT member 3 | 1 |
| 31072652 | 10.1016/j.bmcl.2019.04.048 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 31072652 | 10.1016/j.bmcl.2019.04.048 | Potassium channel subfamily K member 4 | 1 |
| 31072652 | 10.1016/j.bmcl.2019.04.048 | Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 | 1 |
| 31072652 | 10.1016/j.bmcl.2019.04.048 | Adenosine receptor A1 | 1 |
| 31072652 | 10.1016/j.bmcl.2019.04.048 | Adenosine receptor A2a | 1 |
| 31072652 | 10.1016/j.bmcl.2019.04.048 | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine