Compound Detail
CHEMBL39881
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Basic Information
| ChEMBL ID | CHEMBL39881 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPMYRXGASZVFJC-AWEZNQCLSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
414.3
MW (Da)
2.97
ALogP
4
HBA
2
HBD
84.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.02
IC50 1 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 9.02 | 9.02 | 1.0 | 1 |
| Glutamate [NMDA] receptor CHEMBL2094124 | Ki | 9.02 | 9.02 | 1.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | Ki | 8.59 | 8.59 | 2.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 0.96 | nM | 9.02 | Affinity for the glycine binding site of NMDA receptor by inhibition of [3H]5,7-... | 7966156 |
| Glutamate [NMDA] receptor | Ki | = | 0.96 | nM | 9.02 | Displacement of [3H]DCKA from NMDA receptor (unknown origin) | 34998058 |
| Glutamate NMDA receptor | IC50 | = | 2.6 | nM | 8.59 | In vitro inhibition of [3H]glycine at NMDA receptor | 7990104 |
| Glutamate receptor ionotropic, NMDA 1 | Ki | = | 2.6 | nM | 8.59 | Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7966156 | 10.1021/jm00049a015 | Glutamate NMDA receptor | 1 |
| 7990104 | 10.1021/jm00050a001 | Glutamate NMDA receptor | 1 |
| - | 10.1016/0960-894X(95)00243-M | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Glutamate [NMDA] receptor | 1 |
Data from ChEMBL 36 via Core Engine