Compound Detail
CHEMBL94265
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Basic Information
| ChEMBL ID | CHEMBL94265 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHRQYYUJQYMCLD-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
416.0
MW (Da)
4.07
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL3138 | Ki | 7.44 | 7.44 | 36.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.62 | 6.62 | 241.0 | 2 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.33 | 6.33 | 470.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 36.0 | nM | 7.44 | Binding affinity towards Dopamine receptor D3 of rat using [3H]spiroperidol as r... | 12477356 |
| D(4) dopamine receptor | Ki | = | 241.0 | nM | 6.62 | In vitro binding affinity at human Dopamine receptor D4.4 by [3H]YM-09151-2 disp... | 10649982 |
| D(4) dopamine receptor | Ki | = | 241.0 | nM | 6.62 | Binding affinity towards human Dopamine receptor D4 using [3H]spiroperidol as ra... | 12477356 |
| Adrenergic receptor alpha-1 | Ki | = | 470.0 | nM | 6.33 | In vitro binding affinity towards alpha-1 adrenergic receptor by using [3H]prazo... | 10649982 |
| Adrenergic receptor alpha-1 | Ki | = | 470.0 | nM | 6.33 | Binding affinity towards Alpha-1 adrenergic receptor from rat cortical membranes | 12477356 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10649982 | 10.1021/jm991138z | D(2) dopamine receptor | 2 |
| 10649982 | 10.1021/jm991138z | 5-hydroxytryptamine receptor 1A | 2 |
| 12477356 | 10.1021/jm020952a | D(2) dopamine receptor | 2 |
| 12477356 | 10.1021/jm020952a | 5-hydroxytryptamine receptor 1A | 2 |
| 10649982 | 10.1021/jm991138z | D(4) dopamine receptor | 1 |
| 10649982 | 10.1021/jm991138z | Adrenergic receptor alpha-1 | 1 |
| 12477356 | 10.1021/jm020952a | D(3) dopamine receptor | 1 |
| 12477356 | 10.1021/jm020952a | D(4) dopamine receptor | 1 |
| 12477356 | 10.1021/jm020952a | Adrenergic receptor alpha-1 | 1 |
| 12477356 | 10.1021/jm020952a | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine