Compound Detail
CHEMBL340641
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Basic Information
| ChEMBL ID | CHEMBL340641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJILZOKLMRTDFN-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
457.4
MW (Da)
4.87
ALogP
4
HBA
1
HBD
48.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL3138 | Ki | 9.18 | 9.18 | 0.7 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.47 | 6.47 | 342.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 6.2 | 6.2 | 629.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 5.98 | 5.98 | 1050.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL327 | Ki | 5.98 | 5.98 | 1047.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 5.11 | 5.11 | 7750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 0.66 | nM | 9.18 | Binding affinity for rat striatum Dopamine receptor D3 (sf9 cells) by [3H]7-OH-D... | 12930145 |
| D(2) dopamine receptor | Ki | = | 342.0 | nM | 6.47 | Binding affinity for rat striatum Dopamine receptor D2 by [3H]spiperone displace... | 12930145 |
| Alpha-1A adrenergic receptor | Ki | = | 629.0 | nM | 6.2 | Binding affinity for rat cortex alpha-1 adrenergic receptor by inhibition of [3H... | 12930145 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1050.0 | nM | 5.98 | Binding affinity for rat hippocampus 5-hydroxytryptamine 1A receptor by inhibiti... | 12930145 |
| Alpha-2A adrenergic receptor | Ki | = | 1047.0 | nM | 5.98 | Binding affinity for rat cortex Alpha-2 adrenergic receptor was determined using... | 12930145 |
| D(1A) dopamine receptor | Ki | = | 7750.0 | nM | 5.11 | Binding affinity for rat striatum Dopamine receptor D1 by [3H]-SCH- -2339 displa... | 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 |
| 12930145 | 10.1021/jm0211220 | Dopamine receptors; D2 & D3 | 1 |
Data from ChEMBL 36 via Core Engine