Compound Detail
CHEMBL87321
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Basic Information
| ChEMBL ID | CHEMBL87321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBEPZFYXDLYZOH-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
287.8
MW (Da)
3.71
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 7.98 | 7.83 | 10.5 | 2 |
| D(1A) dopamine receptor CHEMBL265 | IC50 | 6.07 | 6.07 | 849.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 10.47 | nM | 7.98 | The compound was tested for affinity towards sigma-3 receptor | 7990111 |
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 21.1 | nM | 7.68 | Binding affinity against sigma receptor from guinea pig brain (minus cerebellum)... | 8102651 |
| D(1A) dopamine receptor | IC50 | = | 849.0 | nM | 6.07 | Binding affinity against dopamine receptor D1 from rat striatal homogenates, usi... | 8102651 |
| D(2) dopamine receptor | IC50 | = | 10000.0 | nM | 5.0 | Binding affinity against dopamine receptor D2 from rat striatal homogenates, usi... | 8102651 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8102651 | 10.1021/jm00069a013 | Sigma non-opioid intracellular receptor 1 | 2 |
| 8102651 | 10.1021/jm00069a013 | D(1A) dopamine receptor | 1 |
| 8102651 | 10.1021/jm00069a013 | D(2) dopamine receptor | 1 |
| 8102651 | 10.1021/jm00069a013 | Tyrosine 3-monooxygenase | 1 |
| 10447948 | 10.1021/jm980428x | Histamine H2 receptor | 1 |
| 7990111 | 10.1021/jm00050a008 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine