Compound Detail
CHEMBL53744
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 | CHEMBL53744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDWKWISULBCGBB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
267.7
MW (Da)
2.54
ALogP
2
HBA
3
HBD
90.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 4.05 | 4.05 | 90000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 90000.0 | nM | 4.05 | Activity against rat cortical and hippocampal membrane strychnine-insensitive N-... | 2146391 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2146391 | 10.1021/jm00173a003 | Glutamate NMDA receptor | 3 |
| 1534125 | 10.1021/jm00088a014 | Glutamate NMDA receptor | 2 |
| 30048589 | 10.1021/acs.jmedchem.7b01768 | Uracil nucleotide/cysteinyl leukotriene receptor | 2 |
| 30048589 | 10.1021/acs.jmedchem.7b01768 | Glutamate NMDA receptor | 2 |
| 1534125 | 10.1021/jm00088a014 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine