Compound Detail
CHEMBL431860
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Basic Information
| ChEMBL ID | CHEMBL431860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUPXWLMLJCBPLO-BJMVGYQFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
359.8
MW (Da)
3.18
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2a CHEMBL2096680 | IC50 | 4.35 | 4.35 | 45000.0 | 1 |
| Glutamate NMDA receptor; Grin1/Grin2b CHEMBL2096666 | IC50 | 4.28 | 4.28 | 52000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2a | IC50 | = | 45000.0 | nM | 4.35 | Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1/2A. | 10464027 |
| Glutamate NMDA receptor; Grin1/Grin2b | IC50 | = | 52000.0 | nM | 4.28 | Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1/2B. | 10464027 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10464027 | 10.1021/jm990199u | Glutamate NMDA receptor; Grin1/Grin2a | 1 |
| 10464027 | 10.1021/jm990199u | Glutamate NMDA receptor; Grin1/Grin2b | 1 |
| 10464027 | 10.1021/jm990199u | Glutamate NMDA receptor; Grin1/Grin2c | 1 |
Data from ChEMBL 36 via Core Engine