Compound Detail
CHEMBL141226
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Basic Information
| ChEMBL ID | CHEMBL141226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMDHGXBNSOIHHP-HAVVHWLPSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
2.54
ALogP
6
HBA
1
HBD
64.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | IC50 | 7.09 | 7.09 | 81.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 5.73 | 5.73 | 1860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | IC50 | = | 22.0 | nM | 7.66 | Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in... | 1361578 |
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 81.0 | nM | 7.09 | Displacement of (+)-[3H]-3-PPP from rat cortical sigma site | 1361578 |
| D(2) dopamine receptor | IC50 | = | 1860.0 | nM | 5.73 | In vitro inhibitory against radioligand [3H]spiperone binding to rat striatal Do... | 1361578 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1361578 | 10.1021/jm00102a002 | Rattus norvegicus | 3 |
| 1361578 | 10.1021/jm00102a002 | D(2) dopamine receptor | 1 |
| 1361578 | 10.1021/jm00102a002 | Adrenergic receptor alpha-1 | 1 |
| 1361578 | 10.1021/jm00102a002 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine