Compound Detail
CHEMBL58053
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Basic Information
| ChEMBL ID | CHEMBL58053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIJBSROVPILMNU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
437.6
MW (Da)
3.39
ALogP
5
HBA
1
HBD
56.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.17 | 8.17 | 6.8 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 8.06 | 8.06 | 8.8 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 6.8 | nM | 8.17 | In vitro ability to displace serotonin 5-HT1A receptor binding to rat cerebral c... | - |
| D(2) dopamine receptor | Ki | = | 8.8 | nM | 8.06 | In vitro ability to displace Dopamine D2 receptor binding to rat striatal membra... | - |
| Adrenergic receptor alpha-1 | Ki | = | 21.0 | nM | 7.68 | In vitro ability to displace Alpha-1 adrenergic receptor binding to rat cerebral... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00336-3 | Rattus norvegicus | 2 |
| - | 10.1016/S0960-894X(97)00336-3 | D(2) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(97)00336-3 | 5-hydroxytryptamine receptor 1A | 1 |
| - | 10.1016/S0960-894X(97)00336-3 | Adrenergic receptor alpha-1 | 1 |
| - | 10.1016/S0960-894X(97)00336-3 | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine