Compound Detail
CHEMBL293952
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Basic Information
| ChEMBL ID | CHEMBL293952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVVHZMXNPUHEAQ-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
379.3
MW (Da)
4.44
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.42
Ki 1 meas. best 8.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.08 | 8.08 | 8.3 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
| Adrenergic receptor beta CHEMBL2095166 | IC50 | 5.25 | 5.25 | 5570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 8.3 | nM | 8.08 | Opioid activity in terms of inhibition of [3H]dihydromorphine binding to opioid ... | 1648139 |
| D(2) dopamine receptor | IC50 | = | 3800.0 | nM | 5.42 | In vitro binding affinity at Dopamine receptor D2 in rat striata using [3H]dompe... | 1648139 |
| Adrenergic receptor beta | IC50 | = | 5570.0 | nM | 5.25 | In vitro binding affinity at beta adrenergic receptor binding site receptors in ... | 1648139 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1648139 | 10.1021/jm00110a015 | Sigma non-opioid intracellular receptor 1 | 2 |
| 1648139 | 10.1021/jm00110a015 | D(1A) dopamine receptor | 1 |
| 1648139 | 10.1021/jm00110a015 | D(2) dopamine receptor | 1 |
| 1648139 | 10.1021/jm00110a015 | Muscarinic acetylcholine receptor | 1 |
| 1648139 | 10.1021/jm00110a015 | Adrenergic receptor beta | 1 |
| 1648139 | 10.1021/jm00110a015 | Glutamate receptor ionotropic, kainate | 1 |
| 1648139 | 10.1021/jm00110a015 | Glutamate receptor ionotropic, AMPA | 1 |
Data from ChEMBL 36 via Core Engine