Compound Detail
CHEMBL41830
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Basic Information
| ChEMBL ID | CHEMBL41830 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZWPPSAANHYITK-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
305.4
MW (Da)
4.10
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.85 | 8.85 | 1.4 | 1 |
| Sigma 2 receptor CHEMBL613288 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2095200 | Ki | 6.66 | 6.66 | 218.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Ki | 5.57 | 5.57 | 2700.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 5.26 | 5.26 | 5500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1.4 | nM | 8.85 | Compound was tested for its binding affinity towards sigma 1 receptor using [3H]... | 9572880 |
| Sigma 2 receptor | Ki | = | 10.0 | nM | 8.0 | Binding affinity towards sigma 2 receptor using [3H]DTG in the presence of 200 n... | 9572880 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 218.0 | nM | 6.66 | Compound was tested for its binding affinity towards 5-hydroxytryptamine 2 recep... | 9572880 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 2700.0 | nM | 5.57 | Compound was tested for its binding affinity towards Muscarinic acetylcholine re... | 9572880 |
| D(2) dopamine receptor | Ki | = | 5500.0 | nM | 5.26 | Compound was tested for its binding affinity towards Dopamine receptor D2 using ... | 9572880 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9572880 | 10.1021/jm970740r | Sigma non-opioid intracellular receptor 1 | 2 |
| 9572880 | 10.1021/jm970740r | Sigma 2 receptor | 1 |
| 9572880 | 10.1021/jm970740r | Serotonin 2 (5-HT2) receptor | 1 |
| 9572880 | 10.1021/jm970740r | D(2) dopamine receptor | 1 |
| 9572880 | 10.1021/jm970740r | Alpha-1A adrenergic receptor | 1 |
| 9572880 | 10.1021/jm970740r | Alpha-1B adrenergic receptor | 1 |
| 9572880 | 10.1021/jm970740r | Muscarinic acetylcholine receptor M2 | 1 |
| 9572880 | 10.1021/jm970740r | Muscarinic acetylcholine receptor M3 | 1 |
| 9572880 | 10.1021/jm970740r | Opioid receptor | 1 |
| 9572880 | 10.1021/jm970740r | Glutamate receptor ionotropic, NMDA 2C | 1 |
Data from ChEMBL 36 via Core Engine