Compound Detail
CHEMBL306474
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Basic Information
| ChEMBL ID | CHEMBL306474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUZGPEPGAGXEQF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
387.5
MW (Da)
2.46
ALogP
7
HBA
0
HBD
71.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | IC50 | = | 230.0 | nM | 6.64 | Binding affinity towards 5-hydroxytryptamine 2A receptor from rat frontal cortex... | 10377229 |
| D(3) dopamine receptor | IC50 | = | 350.0 | nM | 6.46 | Binding affinity towards human Dopamine receptor D3 | 10377229 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10377229 | 10.1021/jm991005d | D(2) dopamine receptor | 2 |
| 10377229 | 10.1021/jm991005d | No relevant target | 1 |
| 10377229 | 10.1021/jm991005d | D(1A) dopamine receptor | 1 |
| 10377229 | 10.1021/jm991005d | D(3) dopamine receptor | 1 |
| 10377229 | 10.1021/jm991005d | D(4) dopamine receptor | 1 |
| 10377229 | 10.1021/jm991005d | 5-hydroxytryptamine receptor 2A | 1 |
| 10377229 | 10.1021/jm991005d | 5-hydroxytryptamine receptor 2C | 1 |
| 10377229 | 10.1021/jm991005d | Histamine H1 receptor | 1 |
| 10377229 | 10.1021/jm991005d | Adrenergic receptor alpha-1 | 1 |
| 10377229 | 10.1021/jm991005d | Muscarinic acetylcholine receptor M1 | 1 |
Data from ChEMBL 36 via Core Engine