Compound Detail
CHEMBL2114055
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Basic Information
| ChEMBL ID | CHEMBL2114055 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWDHALOKAOEZPC-ZYHUDNBSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
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 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | IC50 | 5.81 | 5.81 | 1550.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | IC50 | 5.62 | 5.62 | 2370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 1550.0 | nM | 5.81 | Binding affinity against Dopamine receptor D2 using [3H]spiperone as radioligand | 2824773 |
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 2370.0 | nM | 5.62 | In vitro for binding affinity against sigma receptor using [3H](+)-3-PPP as radi... | 2824773 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine