Compound Detail
CHEMBL42274
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 | CHEMBL42274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFXSVCSYLUFTCW-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
334.5
MW (Da)
4.56
ALogP
2
HBA
1
HBD
28.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2b CHEMBL2096666 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2b | IC50 | = | 14000.0 | nM | 4.85 | Antagonist activity against rat 1A/2B subtype of N-methyl-D-aspartate (NMDA) rec... | 10386947 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10386947 | 10.1016/s0960-894x(99)00248-6 | Unchecked | 2 |
| 10386947 | 10.1016/s0960-894x(99)00248-6 | Glutamate NMDA receptor; Grin1/Grin2b | 1 |
Data from ChEMBL 36 via Core Engine