Compound Detail
CHEMBL327245
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Basic Information
| ChEMBL ID | CHEMBL327245 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQNAJQXEBGOWSC-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
372.9
MW (Da)
4.13
ALogP
4
HBA
0
HBD
32.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.74 | 6.74 | 183.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.04 | 6.04 | 908.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.59 | 5.59 | 2550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 4.0 | nM | 8.4 | In vitro binding affinity at human Dopamine receptor D4.4 by [3H]YM-09151-2 disp... | 10649982 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 183.0 | nM | 6.74 | In vitro binding affinity at 5-hydroxytryptamine receptor 1A receptor in rat hip... | 10649982 |
| Adrenergic receptor alpha-1 | Ki | = | 908.0 | nM | 6.04 | In vitro binding affinity towards alpha-1 adrenergic receptor by using [3H]prazo... | 10649982 |
| D(2) dopamine receptor | Ki | = | 2550.0 | nM | 5.59 | In vitro binding affinity at human Dopamine receptor D2 (long) by [3H]spiroperid... | 10649982 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10649982 | 10.1021/jm991138z | D(4) dopamine receptor | 1 |
| 10649982 | 10.1021/jm991138z | D(2) dopamine receptor | 1 |
| 10649982 | 10.1021/jm991138z | 5-hydroxytryptamine receptor 1A | 1 |
| 10649982 | 10.1021/jm991138z | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine