Compound Detail
CHEMBL45778
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Basic Information
| ChEMBL ID | CHEMBL45778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITXBDHMIXPKNIE-AWEZNQCLSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
233.3
MW (Da)
3.37
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | IC50 | 8.05 | 8.05 | 8.9 | 2 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 5.57 | 5.57 | 2670.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 9.0 | nM | 8.05 | In vitro for binding affinity against sigma receptor using [3H](+)-3-PPP as radi... | 2824773 |
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 8.913 | nM | 8.05 | Binding affinity against sigma receptor | 2824774 |
| D(2) dopamine receptor | IC50 | = | 2670.0 | nM | 5.57 | Binding affinity against Dopamine receptor D2 using [3H]spiperone as radioligand | 2824773 |
| D(2) dopamine receptor | IC50 | = | 2691.53 | nM | 5.57 | Binding affinity for dopamine receptor D2 was evaluated by the ability to displa... | 2824774 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6086923 | 10.1021/jm00374a016 | Rattus norvegicus | 11 |
| 2824773 | 10.1021/jm00395a002 | D(2) dopamine receptor | 2 |
| 2824774 | 10.1021/jm00395a003 | Sigma non-opioid intracellular receptor 1 | 2 |
| 2824774 | 10.1021/jm00395a003 | D(2) dopamine receptor | 2 |
| 2824773 | 10.1021/jm00395a002 | Sigma non-opioid intracellular receptor 1 | 1 |
| 2824773 | 10.1021/jm00395a002 | Sodium-dependent dopamine transporter | 1 |
| 2824773 | 10.1021/jm00395a002 | Rattus norvegicus | 1 |
| 2824774 | 10.1021/jm00395a003 | No relevant target | 1 |
| 2824774 | 10.1021/jm00395a003 | Rattus norvegicus | 1 |
| 2824774 | 10.1021/jm00395a003 | Unchecked | 1 |
| 8201608 | 10.1021/jm00037a025 | D(2) dopamine receptor | 1 |
| 8201608 | 10.1021/jm00037a025 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine