Compound Detail
CHEMBL112037
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Basic Information
| ChEMBL ID | CHEMBL112037 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDMWBBFQNAAKPP-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
330.5
MW (Da)
4.59
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.8
Ki 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 4.0 | nM | 8.4 | Binding affinity towards sigma receptor in guinea pig brain membranes using [3H]... | 1662725 |
| D(2) dopamine receptor | IC50 | = | 160.0 | nM | 6.8 | Compound was tested for its binding affinity towards dopamine receptor D2 by usi... | 1662725 |
| D(1A) dopamine receptor | IC50 | = | 3000.0 | nM | 5.52 | Binding affinity towards Dopamine receptor D1 in rat membranes using [3H]SCH-233... | 1662725 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1662725 | 10.1021/jm00116a003 | Sigma non-opioid intracellular receptor 1 | 1 |
| 1662725 | 10.1021/jm00116a003 | D(1A) dopamine receptor | 1 |
| 1662725 | 10.1021/jm00116a003 | D(2) dopamine receptor | 1 |
| 1662725 | 10.1021/jm00116a003 | Glutamate receptor ionotropic, NMDA 2C | 1 |
Data from ChEMBL 36 via Core Engine