Compound Detail
CHEMBL545597
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Basic Information
| ChEMBL ID | CHEMBL545597 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTZVDTKZPWGOPU-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1194088 |
| Active Moiety | CHEMBL1194088 |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
369.6
MW (Da)
5.37
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.47
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 6.43 | 6.43 | 373.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.02 | 6.02 | 950.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 4.85 | 4.85 | 14100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 1.0 | nM | 9.0 | Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid r... | 10090790 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 373.0 | nM | 6.43 | Inhibitory concentration against radioligand [3H]hydroxy-2-(di-n-propylamino)-te... | 10090790 |
| D(2) dopamine receptor | IC50 | = | 950.0 | nM | 6.02 | Inhibitory concentration against radioligand [3H](-)-sulpiride binding to Dopami... | 10090790 |
| Adrenergic receptor alpha-1 | IC50 | = | 14100.0 | nM | 4.85 | Inhibitory concentration against radioligand [3H]prazosin binding to Alpha-1 adr... | 10090790 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10090790 | 10.1021/jm980212v | Mus musculus | 2 |
| 10090790 | 10.1021/jm980212v | Sigma non-opioid intracellular receptor 1 | 1 |
| 10090790 | 10.1021/jm980212v | D(2) dopamine receptor | 1 |
| 10090790 | 10.1021/jm980212v | D(1A) dopamine receptor | 1 |
| 10090790 | 10.1021/jm980212v | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 10090790 | 10.1021/jm980212v | Adrenergic receptor alpha-1 | 1 |
| 10090790 | 10.1021/jm980212v | 5-hydroxytryptamine receptor 1A | 1 |
| 10090790 | 10.1021/jm980212v | Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine