Compound Detail
CHEMBL345506
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Basic Information
| ChEMBL ID | CHEMBL345506 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFWKGWAWWMFKQB-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
410.6
MW (Da)
3.26
ALogP
5
HBA
0
HBD
41.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 8.48 | 8.48 | 3.3 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 8.14 | 8.14 | 7.3 | 1 |
| Serotonin 1 (5-HT1) receptor CHEMBL2095159 | Ki | 6.92 | 6.92 | 120.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 6.41 | 6.41 | 386.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 3.3 | nM | 8.48 | Binding affinity towards dopamine receptor D2 by displacing [3H]spiperone radiol... | 1346653 |
| Adrenergic receptor alpha-1 | Ki | = | 7.3 | nM | 8.14 | The compound was tested for its binding affinity towards Alpha-1 adrenergic rece... | 1346653 |
| Serotonin 1 (5-HT1) receptor | Ki | = | 120.0 | nM | 6.92 | The compound was tested for its binding affinity towards 5-hydroxytryptamine 1 r... | 1346653 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 386.0 | nM | 6.41 | The compound was tested for its binding affinity towards 5-hydroxytryptamine 2 r... | 1346653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1346653 | 10.1021/jm00081a018 | Rattus norvegicus | 3 |
| 1346653 | 10.1021/jm00081a018 | D(2) dopamine receptor | 1 |
| 1346653 | 10.1021/jm00081a018 | Serotonin 1 (5-HT1) receptor | 1 |
| 1346653 | 10.1021/jm00081a018 | Serotonin 2 (5-HT2) receptor | 1 |
| 1346653 | 10.1021/jm00081a018 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine