Compound Detail
CHEMBL1822892
LUBAZODONE HYDROCHLORIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1822892 |
| Name | LUBAZODONE HYDROCHLORIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWEMEKZYQCJVEZ-PPHPATTJSA-N |
| Parent Compound | CHEMBL1080884 |
| Active Moiety | CHEMBL1080884 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
6
Known Names
Molecular Properties
251.3
MW (Da)
1.68
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
Ki 2 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 7.68 | 7.68 | 21.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.07 | 7.07 | 86.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 21.0 | nM | 7.68 | Binding affinity to SERT | 21823597 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 86.0 | nM | 7.07 | Binding affinity to 5-HT2A | 21823597 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21823597 | 10.1021/jm200682b | Sodium-dependent serotonin transporter | 1 |
| 21823597 | 10.1021/jm200682b | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine