Compound Detail
CHEMBL126889
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Basic Information
| ChEMBL ID | CHEMBL126889 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGPQHQDBSBJSAG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
479.8
MW (Da)
5.46
ALogP
3
HBA
2
HBD
51.4
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 9.42 | 9.42 | 0.4 | 1 |
| D(3) dopamine receptor CHEMBL3138 | Ki | 9.42 | 9.42 | 0.4 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 5.09 | 5.09 | 8100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 0.38 | nM | 9.42 | Binding affinity for rat striatum Dopamine receptor D3 (sf9 cells) by [3H]7-OH-D... | 12930145 |
| D(3) dopamine receptor | Ki | = | 0.38 | nM | 9.42 | Displacement of [3H]7OH-DPAT from dopamine D3 receptor expressed in Sf9 cells by... | 19072656 |
| Alpha-1A adrenergic receptor | Ki | = | 8100.0 | nM | 5.09 | Binding affinity for rat cortex alpha-1 adrenergic receptor by inhibition of [3H... | 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 |
| 19072656 | 10.1021/jm800689g | Mus musculus | 1 |
| 19072656 | 10.1021/jm800689g | 5-hydroxytryptamine receptor 1A | 1 |
| 19072656 | 10.1021/jm800689g | D(3) dopamine receptor | 1 |
| 19072656 | 10.1021/jm800689g | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine