Compound Detail
CHEMBL487359
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Basic Information
| ChEMBL ID | CHEMBL487359 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEJVHQDLWUVNET-MAEOIBBWSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
3.79
ALogP
4
HBA
1
HBD
43.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.11 | 8.11 | 7.7 | 1 |
| 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase CHEMBL5525 | Ki | 7.63 | 7.63 | 23.5 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.43 | 6.43 | 373.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.11 | 6.11 | 783.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 7.71 | nM | 8.11 | Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain me... | 19053780 |
| 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | Ki | = | 23.5 | nM | 7.63 | Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane | 19053780 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 373.0 | nM | 6.43 | Displacement of [3H]8OH-DPAT from 5HT1A receptor in rat hippocampal membrane | 19053780 |
| D(2) dopamine receptor | Ki | = | 783.0 | nM | 6.11 | Displacement of [3H]spiroperidol from dopamine D2 receptor in rat striatal membr... | 19053780 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19053780 | 10.1021/jm800965b | 5-hydroxytryptamine receptor 1A | 1 |
| 19053780 | 10.1021/jm800965b | D(2) dopamine receptor | 1 |
| 19053780 | 10.1021/jm800965b | Adrenergic receptor alpha-1 | 1 |
| 19053780 | 10.1021/jm800965b | 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | 1 |
| 19053780 | 10.1021/jm800965b | Sigma non-opioid intracellular receptor 1 | 1 |
| 19053780 | 10.1021/jm800965b | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine