Compound Detail
CHEMBL554972
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 | CHEMBL554972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPEJTBRQKMMFHI-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1193582 |
| Active Moiety | CHEMBL1193582 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
247.4
MW (Da)
2.48
ALogP
1
HBA
3
HBD
47.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| Glutamate [NMDA] receptor CHEMBL2094124 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 22.0 | nM | 7.66 | In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in... | 1975275 |
| Glutamate [NMDA] receptor | IC50 | = | 5000.0 | nM | 5.3 | In vitro inhibitory activity against [3H](+)-MK-801 binding to PCP receptor in g... | 1975275 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1975275 | 10.1021/jm00171a016 | Sigma non-opioid intracellular receptor 1 | 1 |
| 1975275 | 10.1021/jm00171a016 | Glutamate [NMDA] receptor | 1 |
Data from ChEMBL 36 via Core Engine