Compound Detail
CHEMBL442203
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Basic Information
| ChEMBL ID | CHEMBL442203 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGPASGZLQNQAAZ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
379.4
MW (Da)
3.89
ALogP
4
HBA
0
HBD
46.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 7.0 | 6.4 | 99.0 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 99.0 | nM | 7.0 | Binding affinity against dopamine receptor D2 in homogenated rat brain tissue, u... | 8230131 |
| D(2) dopamine receptor | Ki | = | 1570.0 | nM | 5.8 | Binding affinity against dopamine receptor D2 in rat brain tissue using [3H]spip... | 8230131 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 16000.0 | nM | 4.8 | Binding affinity against 5-hydroxytryptamine 1A receptor in homogenated rat brai... | 8230131 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8230131 | 10.1021/jm00074a022 | Dopamine receptor | 3 |
| 8230131 | 10.1021/jm00074a022 | Unchecked | 3 |
| 8230131 | 10.1021/jm00074a022 | D(2) dopamine receptor | 2 |
| 8230131 | 10.1021/jm00074a022 | Rattus norvegicus | 2 |
| 8230131 | 10.1021/jm00074a022 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine