Compound Detail
CHEMBL30021
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 | CHEMBL30021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTJOERJCBUJUDI-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
245.2
MW (Da)
0.45
ALogP
3
HBA
4
HBD
120.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.03 | 5.03 | 9300.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 9300.0 | nM | 5.03 | NMDA receptor antagonistic activity was assessed from the ability to displace [3... | 2544728 |
| Glutamate NMDA receptor | IC50 | = | 9300.0 | nM | 5.03 | Displacement of [3H]CPP from N-methyl-D-aspartate glutamate receptor in rat brai... | 1533422 |
| Glutamate NMDA receptor | IC50 | = | 9300.0 | nM | 5.03 | Ability to displace [3H]CPP from NMDA receptor in rat brain membrane | 1533422 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2544728 | 10.1021/jm00127a030 | Glutamate NMDA receptor | 2 |
| 1533422 | 10.1021/jm00086a004 | Glutamate NMDA receptor | 2 |
| 2544728 | 10.1021/jm00127a030 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine