Compound Detail
CHEMBL2110670
VABICASERIN 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL2110670 |
| Name | VABICASERIN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | NPTIPEQJIDTVKR-STQMWFEESA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
3
Known Names
1
Indications
Molecular Properties
228.3
MW (Da)
2.49
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Schizophrenia
Activity Summary
EC50 2 meas. best 8.1
Ki 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 8.1 | 8.1 | 8.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 3.0 | nM | 8.52 | Displacement of [125I]DOI from human 5-HT2C receptor | 24491146 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 8.0 | nM | 8.1 | Agonist activity at human 5-HT2C receptor assessed as stimulation of Ca2+ mobili... | 24491146 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 8.0 | nM | 8.1 | Agonist activity at 5HT2C receptor (unknown origin) relative to control | 25633969 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24491146 | 10.1021/jm401802f | 5-hydroxytryptamine receptor 2C | 2 |
| 25633969 | 10.1021/jm5019274 | 5-hydroxytryptamine receptor 2C | 2 |
| 35939391 | 10.1021/acs.jmedchem.2c00633 | 5-hydroxytryptamine receptor 2C | 2 |
| 25633969 | 10.1021/jm5019274 | 5-hydroxytryptamine receptor 2B | 1 |
Data from ChEMBL 36 via Core Engine