Compound Detail
CHEMBL1203902
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 | CHEMBL1203902 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWTGECXMIYVCHQ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL176623 |
| Active Moiety | CHEMBL176623 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
4.50
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2b CHEMBL2096666 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2b | IC50 | = | 11.0 | nM | 7.96 | Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate ... | 10715162 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10715162 | 10.1021/jm990428c | Glutamate NMDA receptor; Grin1/Grin2a | 1 |
| 10715162 | 10.1021/jm990428c | Glutamate NMDA receptor; Grin1/Grin2b | 1 |
| 10715162 | 10.1021/jm990428c | Glutamate NMDA receptor; Grin1/Grin2c | 1 |
Data from ChEMBL 36 via Core Engine