Compound Detail
CHEMBL153451
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Basic Information
| ChEMBL ID | CHEMBL153451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCPAGVLBVBGILQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
400.9
MW (Da)
3.51
ALogP
4
HBA
0
HBD
31.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.46 | 7.46 | 34.3 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.45 | 7.45 | 35.2 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | Ki | 7.02 | 7.02 | 95.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 34.3 | nM | 7.46 | Binding affinity towards 5-hydroxytryptamine 1A receptor by displacing [3H]WB-41... | 1346653 |
| D(2) dopamine receptor | Ki | = | 35.2 | nM | 7.45 | Binding affinity towards dopamine receptor D2 by displacing [3H]spiperone radiol... | 1346653 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 95.0 | nM | 7.02 | The compound was tested for its binding affinity towards 5-hydroxytryptamine 1B ... | 1346653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1346653 | 10.1021/jm00081a018 | Rattus norvegicus | 2 |
| 1346653 | 10.1021/jm00081a018 | D(2) dopamine receptor | 1 |
| 1346653 | 10.1021/jm00081a018 | 5-hydroxytryptamine receptor 1A | 1 |
| 1346653 | 10.1021/jm00081a018 | 5-hydroxytryptamine receptor 1B | 1 |
Data from ChEMBL 36 via Core Engine