Compound Detail
CHEMBL96426
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Basic Information
| ChEMBL ID | CHEMBL96426 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKEMOMYHVKJOQR-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
289.1
MW (Da)
1.08
ALogP
4
HBA
2
HBD
92.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.96
IC50 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Glutamate [NMDA] receptor CHEMBL2094124 | Ki | 6.96 | 6.96 | 110.0 | 1 |
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | Ki | 6.96 | 6.96 | 110.0 | 1 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | Ki | 5.68 | 5.68 | 2100.0 | 1 |
| Glutamate receptor ionotropic AMPA CHEMBL2096670 | Ki | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 110.0 | nM | 6.96 | In vitro inhibition of [3H]glycine at NMDA receptor | 7990104 |
| Glutamate receptor ionotropic, NMDA 1 | Ki | = | 110.0 | nM | 6.96 | Binding affinity for glycine site-NMDA receptor was determined by the ability to... | - |
| Glutamate [NMDA] receptor | Ki | = | 110.0 | nM | 6.96 | Displacement of [3H]glycine from NMDA receptor (unknown origin) | 34998058 |
| Glutamate receptor ionotropic, AMPA | Ki | = | 2100.0 | nM | 5.68 | Binding affinity for Ionotropic glutamate receptor AMPA was determined by the ab... | - |
| Glutamate receptor ionotropic AMPA | Ki | = | 2100.0 | nM | 5.68 | Displacement of [3H]AMPA from AMPA receptor (unknown origin) | 34998058 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7990104 | 10.1021/jm00050a001 | Glutamate NMDA receptor | 1 |
| - | 10.1016/S0960-894X(01)80768-X | Glutamate receptor ionotropic, AMPA | 1 |
| - | 10.1016/S0960-894X(01)80768-X | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Glutamate receptor ionotropic AMPA | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Glutamate [NMDA] receptor | 1 |
Data from ChEMBL 36 via Core Engine