Compound Detail
CHEMBL9044
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Basic Information
| ChEMBL ID | CHEMBL9044 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NITFNWKNXPEUTQ-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
263.6
MW (Da)
1.94
ALogP
5
HBA
2
HBD
87.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.75
Ki 2 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | Ki | 6.32 | 6.32 | 480.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | Ki | 5.64 | 5.64 | 2300.0 | 1 |
| Glutamate receptor ionotropic, kainate CHEMBL2094119 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 | Ki | = | 480.0 | nM | 6.32 | Displacement of [3H]glycine from N-methyl-D-aspartate glutamate receptor 1 in ra... | 11855983 |
| Glutamate NMDA receptor | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of stimulated [3H](+)-MK-801 binding to N-methyl-D-aspartate glutamat... | 11855983 |
| Glutamate receptor ionotropic, AMPA | Ki | = | 2300.0 | nM | 5.64 | Displacement of [3H]AMPA from Ionotropic glutamate receptor AMPA in rat cortical... | 11855983 |
| Glutamate receptor ionotropic, kainate | IC50 | = | 60000.0 | nM | 4.22 | Inhibition of specific binding at 100 uM by displacing [3H]KA, from specific bin... | 11855983 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11855983 | 10.1021/jm010995b | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 11855983 | 10.1021/jm010995b | Glutamate receptor ionotropic, AMPA | 1 |
| 11855983 | 10.1021/jm010995b | Glutamate receptor ionotropic, kainate | 1 |
| 11855983 | 10.1021/jm010995b | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine