Compound Detail
CHEMBL281724
LUBELUZOLE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL281724 |
| Name | LUBELUZOLE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | OZFSWVOEXHGDES-INIZCTEOSA-N |
6
Targets
7
Activities
2
Assay Types
6
PK Parameters
12
Publications
7
Known Names
Molecular Properties
433.5
MW (Da)
3.92
ALogP
6
HBA
1
HBD
48.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 6 meas. best 6.58
Kd 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 2 subunit alpha CHEMBL3399 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.55 | 5.475 | 280.0 | 2 |
| Calmodulin CHEMBL6092 | Kd | 5.54 | 5.54 | 2900.0 | 1 |
| Sodium channel alpha subunits; brain (Types I, II, III) CHEMBL2095171 | IC50 | 5.53 | 5.53 | 2939.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 1.8 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1.54 | mL.min-1.kg-1 | Homo sapiens |
| MRT | 28.7 | hr | Homo sapiens |
| MRT | 23.3 | hr | Homo sapiens |
| T1/2 | 23.5 | hr | Homo sapiens |
| T1/2 | 19.8 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 2 subunit alpha | IC50 | = | 260.0 | nM | 6.58 | In vitro inhibition of [14C]- guanidinium influx in Chinese hamster ovary (CHO) ... | 9685245 |
| Unchecked | IC50 | = | 280.0 | nM | 6.55 | Inhibition of [3H]BTX binding to cardiac voltage-gated sodium channel | 11170622 |
| Calmodulin | Kd | = | 2900.0 | nM | 5.54 | Binding affinity to bovine brain CaM by FTPFACE analysis | 27043269 |
| Sodium channel alpha subunits; brain (Types I, II, III) | IC50 | = | 2939.0 | nM | 5.53 | Inhibitory effect against veratridine-induced glutamate release from rat brain s... | 12166948 |
| A2780 | IC50 | = | 5700.0 | nM | 5.24 | Cytotoxicity against human A2780 cells after 72 hrs by MTT assay | 23886686 |
| A549 | IC50 | = | 14000.0 | nM | 4.85 | Cytotoxicity against human A549 cells after 72 hrs by MTT assay | 23886686 |
| Unchecked | IC50 | = | 40000.0 | nM | 4.4 | Inhibition of full-length recombinant human CamKII expressed in insect Sf9 cells... | 27043269 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19603833 | 10.1021/jm9004658 | Homo sapiens | 9 |
| 12166948 | 10.1021/jm020875j | Sodium channel alpha subunits; brain (Types I, II, III) | 3 |
| 23886686 | 10.1016/j.bmcl.2013.06.077 | A549 | 2 |
| 23886686 | 10.1016/j.bmcl.2013.06.077 | A2780 | 2 |
| 11170622 | 10.1021/jm000155h | Rattus norvegicus | 1 |
| 11170622 | 10.1021/jm000155h | Unchecked | 1 |
| 12166948 | 10.1021/jm020875j | Glutamate NMDA receptor | 1 |
| 9685245 | 10.1021/jm980124a | Sodium channel protein type 2 subunit alpha | 1 |
| 9685245 | 10.1021/jm980124a | Mus musculus | 1 |
| 27043269 | 10.1016/j.ejmech.2016.03.045 | Calmodulin | 1 |
| 27043269 | 10.1016/j.ejmech.2016.03.045 | Unchecked | 1 |
| 27043269 | 10.1016/j.ejmech.2016.03.045 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine