Compound Detail
CHEMBL123952
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Basic Information
| ChEMBL ID | CHEMBL123952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XISSXEYXFUJWDA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
442.6
MW (Da)
4.42
ALogP
6
HBA
1
HBD
53.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 7.07 | 7.07 | 86.0 | 1 |
| D(3) dopamine receptor CHEMBL3138 | Ki | 6.53 | 6.53 | 295.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 86.0 | nM | 7.07 | Binding affinity for rat striatum Dopamine receptor D2 by [3H]spiperone displace... | 12930145 |
| D(3) dopamine receptor | Ki | = | 295.0 | nM | 6.53 | Binding affinity for rat striatum Dopamine receptor D3 (sf9 cells) by [3H]7-OH-D... | 12930145 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12930145 | 10.1021/jm0211220 | D(1A) dopamine receptor | 1 |
| 12930145 | 10.1021/jm0211220 | D(2) dopamine receptor | 1 |
| 12930145 | 10.1021/jm0211220 | D(3) dopamine receptor | 1 |
| 12930145 | 10.1021/jm0211220 | 5-hydroxytryptamine receptor 1A | 1 |
| 12930145 | 10.1021/jm0211220 | Alpha-1A adrenergic receptor | 1 |
| 12930145 | 10.1021/jm0211220 | Alpha-2A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine