Compound Detail
CHEMBL104297
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Basic Information
| ChEMBL ID | CHEMBL104297 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GEUWRNTWGHPTPU-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
253.6
MW (Da)
1.67
ALogP
4
HBA
2
HBD
79.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.19 | 5.19 | 6400.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 6400.0 | nM | 5.19 | Binding affinity towards NMDA receptor to displace [3H]-L-689,560 from rat corti... | 8230129 |
| Glutamate NMDA receptor | IC50 | = | 6450.0 | nM | 5.19 | Affinity for the glycine binding site on rat N-methyl-D-aspartate glutamate rece... | 9406596 |
| Glutamate NMDA receptor | IC50 | = | 6400.0 | nM | 5.19 | In vitro inhibition of [3H]glycine at NMDA receptor | 7990104 |
| Glutamate NMDA receptor | IC50 | = | 6500.0 | nM | 5.19 | Displacement of [3H]L-689,560 from NMDA receptor glycine site of rat brain membr... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9406596 | 10.1021/jm970417o | Glutamate NMDA receptor | 2 |
| 7990104 | 10.1021/jm00050a001 | Glutamate NMDA receptor | 2 |
| 7990104 | 10.1021/jm00050a001 | Mus musculus | 2 |
| 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 | Mus musculus | 1 |
| 9406596 | 10.1021/jm970417o | No relevant target | 1 |
| 9406596 | 10.1021/jm970417o | Albumin | 1 |
| 9406596 | 10.1021/jm970417o | Rattus norvegicus | 1 |
| - | 10.1016/S0960-894X(01)80897-0 | Glutamate NMDA receptor | 1 |
| - | 10.1016/S0960-894X(01)80897-0 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine