Compound Detail
CHEMBL9037
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Basic Information
| ChEMBL ID | CHEMBL9037 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFXJXSHGARXUTH-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
279.7
MW (Da)
2.16
ALogP
4
HBA
1
HBD
71.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 4.97
IC50 1 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | Ki | 4.97 | 4.97 | 10600.0 | 2 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 4.79 | 4.79 | 16100.0 | 1 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | Ki | 4.76 | 4.76 | 17300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 | Ki | = | 10600.0 | nM | 4.97 | Binding selectivity towards N-methyl-D-aspartate glutamate receptor 1 was determ... | 12954059 |
| Glutamate receptor ionotropic, NMDA 1 | Ki | = | 10600.0 | nM | 4.97 | Displacement of [3H]glycine from N-methyl-D-aspartate glutamate receptor 1 in ra... | 11855983 |
| Glutamate NMDA receptor | IC50 | = | 16100.0 | nM | 4.79 | Inhibition of stimulated [3H](+)-MK-801 binding to N-methyl-D-aspartate glutamat... | 11855983 |
| Glutamate receptor ionotropic, AMPA | Ki | = | 17300.0 | nM | 4.76 | Binding selectivity towards Ionotropic glutamate receptor AMPA was determined by... | 12954059 |
| Glutamate receptor ionotropic, AMPA | Ki | = | 17300.0 | nM | 4.76 | Displacement of [3H]AMPA from Ionotropic glutamate receptor AMPA in rat cortical... | 11855983 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12954059 | 10.1021/jm030833a | Glutamate receptor ionotropic, AMPA | 1 |
| 12954059 | 10.1021/jm030833a | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 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