Compound Detail
CHEMBL147507
(R)-MEXILETINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL147507 |
| Name | (R)-MEXILETINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLPIATFUUWWMKC-SNVBAGLBSA-N |
3
Targets
7
Activities
2
Assay Types
1
PK Parameters
11
Publications
0
Known Names
Molecular Properties
179.3
MW (Da)
2.03
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.72
EC50 2 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.02 | 6.02 | 960.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.72 | 4.4 | 19000.0 | 2 |
| Sodium channel protein type 4 subunit alpha CHEMBL2072 | EC50 | 4.64 | 4.64 | 22908.7 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.64 | 4.455 | 23000.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 87.0 | % | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 960.0 | nM | 6.02 | Antiarrhythmic activity in patient-derived hiPSC-CMs carrying LQT3 mutation asse... | 33942619 |
| Unchecked | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of sodium channel (unknown origin) expressed in HEK cells assessed as... | 33942619 |
| Sodium channel protein type 4 subunit alpha | EC50 | = | 22908.68 | nM | 4.64 | Inhibition of Nav1.4 ion channel assessed as reduction in cumulative sodium curr... | 19027197 |
| NON-PROTEIN TARGET | IC50 | = | 23000.0 | nM | 4.64 | Half-maximal concentration producing a phasic block (cumulative sodium current r... | 14613326 |
| NON-PROTEIN TARGET | IC50 | = | 54000.0 | nM | 4.27 | Half-maximal concentration producing a tonic block (blocking sodium channels at ... | 14613326 |
| Unchecked | IC50 | = | 84000.0 | nM | 4.08 | Inhibition of potassium channel (unknown origin) expressed in CHO cells assessed... | 33942619 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33942619 | 10.1021/acs.jmedchem.0c01545 | Unchecked | 11 |
| 33942619 | 10.1021/acs.jmedchem.0c01545 | ADMET | 5 |
| 14613326 | 10.1021/jm030865y | NON-PROTEIN TARGET | 2 |
| 14613326 | 10.1021/jm030865y | Unchecked | 2 |
| 17870541 | 10.1016/j.bmc.2007.08.060 | Homo sapiens | 1 |
| 18163548 | 10.1021/jm701359z | Urokinase-type plasminogen activator | 1 |
| 18163548 | 10.1021/jm701359z | No relevant target | 1 |
| 19027197 | 10.1016/j.ejmech.2008.10.005 | Sodium channel protein type 4 subunit alpha | 1 |
| 18457385 | 10.1021/jm8000373 | Urokinase-type plasminogen activator | 1 |
| 24249037 | 10.1007/s11095-013-1232-z | No relevant target | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine