Compound Detail
CHEMBL298758
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Basic Information
| ChEMBL ID | CHEMBL298758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSXRUVUAKCZJMP-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
322.3
MW (Da)
5.15
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.70
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.91
Ki 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| Adrenergic receptor beta CHEMBL2095166 | IC50 | 5.91 | 5.91 | 1240.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 5.75 | 5.75 | 1790.0 | 1 |
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 5.13 | 5.13 | 7400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 12.0 | nM | 7.92 | Inhibition of [3H]DTG binding to Sigma opioid receptor | 1648139 |
| Adrenergic receptor beta | IC50 | = | 1240.0 | nM | 5.91 | In vitro binding affinity at Beta adrenergic receptor in rat brain membrane usin... | 1648139 |
| D(2) dopamine receptor | IC50 | = | 1790.0 | nM | 5.75 | In vitro binding affinity at Dopamine receptor D2 in rat striata using [3H]dompe... | 1648139 |
| Muscarinic acetylcholine receptor | IC50 | = | 7400.0 | nM | 5.13 | In vitro binding affinity at Muscarinic acetylcholine receptor in rat brain memb... | 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