Compound Detail
CHEMBL303539
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Basic Information
| ChEMBL ID | CHEMBL303539 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNQUBIRWGVEXHT-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
424.3
MW (Da)
1.73
ALogP
9
HBA
2
HBD
103.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.06
IC50 1 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 8.12 | 8.12 | 7.6 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 7.06 | 7.06 | 88.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 7.6 | nM | 8.12 | Binding affinity at glycine binding site of NMDA receptor in rat cortical membra... | 11384240 |
| Rattus norvegicus | EC50 | = | 88.0 | nM | 7.06 | Inhibition of NMDA-induced depolarizations in rat cortical wedges. | 11384240 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11384240 | 10.1021/jm001124p | Glutamate NMDA receptor | 1 |
| 11384240 | 10.1021/jm001124p | Rattus norvegicus | 1 |
| 11384240 | 10.1021/jm001124p | Mus musculus | 1 |
| 11384240 | 10.1021/jm001124p | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine