Compound Detail
CHEMBL56519
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Basic Information
| ChEMBL ID | CHEMBL56519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWDHALOKAOEZPC-JQWIXIFHSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
203.3
MW (Da)
2.17
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.04
Ki 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.42 | 7.42 | 38.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.04 | 7.04 | 92.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | IC50 | 5.44 | 5.44 | 3610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 11.0 | nM | 7.96 | Compound was tested for agonistic activity against D2 receptor from cloned CHO c... | 8496900 |
| D(2) dopamine receptor | Ki | = | 38.0 | nM | 7.42 | Compound was tested for antagonistic activity against D2 receptor from rat stria... | 8496900 |
| D(2) dopamine receptor | IC50 | = | 92.0 | nM | 7.04 | Binding affinity against Dopamine receptor D2 using [3H]spiperone as radioligand | 2824773 |
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 3610.0 | nM | 5.44 | In vitro for binding affinity against sigma receptor using [3H](+)-3-PPP as radi... | 2824773 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8496900 | 10.1021/jm00062a001 | D(2) dopamine receptor | 3 |
| 3761309 | 10.1021/jm00160a017 | Dopamine receptor | 2 |
| 3761309 | 10.1021/jm00160a017 | Rattus norvegicus | 2 |
| 2824773 | 10.1021/jm00395a002 | Sigma non-opioid intracellular receptor 1 | 1 |
| 2824773 | 10.1021/jm00395a002 | D(2) dopamine receptor | 1 |
| 2824773 | 10.1021/jm00395a002 | Sodium-dependent dopamine transporter | 1 |
| 8496900 | 10.1021/jm00062a001 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine