Compound Detail
CHEMBL115447
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Basic Information
| ChEMBL ID | CHEMBL115447 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PADJOXQXFCMDQW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
289.7
MW (Da)
3.12
ALogP
5
HBA
2
HBD
83.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.62 | 5.62 | 2390.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 2390.0 | nM | 5.62 | Binding affinity towards NMDA receptor to displace [3H]-L-689,560 from rat corti... | 8230129 |
| Glutamate NMDA receptor | IC50 | = | 2390.0 | nM | 5.62 | Affinity for the glycine binding site on rat N-methyl-D-aspartate glutamate rece... | 9406596 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8230129 | 10.1021/jm00074a020 | Glutamate NMDA receptor | 1 |
| 8230129 | 10.1021/jm00074a020 | Rattus norvegicus | 1 |
| 8230129 | 10.1021/jm00074a020 | Mus musculus | 1 |
| 9406596 | 10.1021/jm970417o | Albumin | 1 |
| 9406596 | 10.1021/jm970417o | Mus musculus | 1 |
| 9406596 | 10.1021/jm970417o | Glutamate NMDA receptor | 1 |
| 9406596 | 10.1021/jm970417o | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine