Compound Detail
CHEMBL117748
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 | CHEMBL117748 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGJFUWQIAPYYNE-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
442.4
MW (Da)
5.24
ALogP
2
HBA
1
HBD
39.3
PSA (Ų)
0.59
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.79
Ki 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 5.79 | 5.79 | 1612.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 5.42 | 5.42 | 3790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 1612.0 | nM | 5.79 | Binding affinity against sigma sites in guinea pig membrane using [3H]DTG as the... | 8426363 |
| D(2) dopamine receptor | Ki | = | 3790.0 | nM | 5.42 | Binding affinity against D2 receptor in rat corpus striatum using [3H]sulpiride ... | 8426363 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8426363 | 10.1021/jm00055a005 | Sigma non-opioid intracellular receptor 1 | 2 |
| 8426363 | 10.1021/jm00055a005 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine