Compound Detail
CHEMBL19264
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Basic Information
| ChEMBL ID | CHEMBL19264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZTKTNRVJAMKAS-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
176.2
MW (Da)
1.37
ALogP
2
HBA
3
HBD
62.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 5.8 | 5.8 | 1584.9 | 2 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 5.26 | 5.26 | 5500.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | Ki | 5.23 | 5.23 | 5890.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 4.94 | 4.94 | 11500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 1590.0 | nM | 5.8 | Evaluated for the binding affinity to hippocampus striatal membranes at 5-hydrox... | 3543362 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1584.89 | nM | 5.8 | Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) r... | 8568799 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 5500.0 | nM | 5.26 | Evaluated for the binding affinity to porcine choroid plexus at 5-hydroxytryptam... | 3543362 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 5890.0 | nM | 5.23 | Binding affinity (Ki) to rat cortical membranes at 5-HT1B binding site by using ... | 3543362 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 11500.0 | nM | 4.94 | Binding affinity to rat cortical membranes at 5-hydroxytryptamine 2 (5-HT2) rece... | 3543362 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3543362 | 10.1021/jm00384a001 | 5-hydroxytryptamine receptor 1A | 1 |
| 3543362 | 10.1021/jm00384a001 | 5-hydroxytryptamine receptor 1B | 1 |
| 3543362 | 10.1021/jm00384a001 | 5-hydroxytryptamine receptor 2C | 1 |
| 3543362 | 10.1021/jm00384a001 | Serotonin 2 (5-HT2) receptor | 1 |
| 8568799 | 10.1021/jm950410b | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine