Compound Detail
CHEMBL83688
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Basic Information
| ChEMBL ID | CHEMBL83688 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFAHIODKMNWZPL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
220.1
MW (Da)
-1.55
ALogP
5
HBA
4
HBD
129.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 6.33 | 6.33 | 470.0 | 2 |
| Glutamate [NMDA] receptor CHEMBL2094124 | IC50 | 6.33 | 6.33 | 470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 470.0 | nM | 6.33 | The compound was tested for its affinity against N-methyl-D-aspartate glutamate ... | 1361582 |
| Glutamate NMDA receptor | IC50 | = | 470.0 | nM | 6.33 | Displacement of [3H]CPP from rat brain synaptic membrane N-methyl-D-aspartate gl... | 9457246 |
| Glutamate [NMDA] receptor | IC50 | = | 470.0 | nM | 6.33 | Binding affinity to NMDA receptor (unknown origin) | 33035923 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9457246 | 10.1021/jm970504g | Glutamate NMDA receptor | 2 |
| 1361582 | 10.1021/jm00103a010 | Glutamate NMDA receptor | 1 |
| 1361582 | 10.1021/jm00103a010 | Mus musculus | 1 |
| 9457246 | 10.1021/jm970504g | Mus musculus | 1 |
| 33035923 | 10.1016/j.ejmech.2020.112872 | Glutamate [NMDA] receptor | 1 |
| 33035923 | 10.1016/j.ejmech.2020.112872 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine