Compound Detail
CHEMBL5170354
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5170354 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHSOKIBTPZERLH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
495.5
MW (Da)
9.55
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.30
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma intracellular receptor 2 CHEMBL4105907 | Ki | 5.55 | 5.55 | 2840.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 5.52 | 5.52 | 3020.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.12 | 5.12 | 7630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma intracellular receptor 2 | Ki | = | 2840.0 | nM | 5.55 | Displacement of [3H]-DTG from human sigma2 receptor expressed in human HEK293T c... | 36367749 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 3020.0 | nM | 5.52 | Displacement of [3H]-LSD from human sigma1 receptor expressed in human HEK293T c... | 36367749 |
| D(3) dopamine receptor | Ki | = | 7630.0 | nM | 5.12 | Displacement of [3H]-N-methylspiperone from human D3 receptor expressed in human... | 36367749 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36367749 | 10.1021/acs.jmedchem.2c01170 | Adenosine receptor A3 | 3 |
| 36367749 | 10.1021/acs.jmedchem.2c01170 | Sigma non-opioid intracellular receptor 1 | 1 |
| 36367749 | 10.1021/acs.jmedchem.2c01170 | Sigma intracellular receptor 2 | 1 |
| 36367749 | 10.1021/acs.jmedchem.2c01170 | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine