Compound Detail
CHEMBL22895
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Basic Information
| ChEMBL ID | CHEMBL22895 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXXRRQFCBIAGLD-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
349.5
MW (Da)
2.90
ALogP
3
HBA
2
HBD
70.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 7.85 | 7.5875 | 14.0 | 4 |
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | IC50 | 7.85 | 7.675 | 14.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of the binding of [3H]L-689,560 ([3H]-4) to the strychnine-insensitiv... | 8182696 |
| Glutamate NMDA receptor | IC50 | = | 14.0 | nM | 7.85 | Displacement of [3H]L-689,560 from NMDA receptor glycine site of rat brain membr... | - |
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 32.0 | nM | 7.5 | Inhibition of binding of [3H]glycine to N-methyl-D-aspartate glutamate receptor ... | 9526557 |
| Glutamate NMDA receptor | IC50 | = | 32.0 | nM | 7.5 | In vitro inhibition of [3H]glycine at NMDA receptor | 7990104 |
| Glutamate NMDA receptor | IC50 | = | 32.0 | nM | 7.5 | Concentration required to inhibit 50% of the specific binding of [3H]glycine to ... | 1534583 |
| Glutamate NMDA receptor | IC50 | = | 32.0 | nM | 7.5 | Inhibition of [3H]glycine binding to glycine site of N-methyl-D-aspartate glutam... | 1826744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1826744 | 10.1021/jm00108a002 | Glutamate NMDA receptor | 3 |
| 7990104 | 10.1021/jm00050a001 | Glutamate NMDA receptor | 2 |
| 8182696 | 10.1021/jm00036a002 | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 8182696 | 10.1021/jm00036a002 | Rattus norvegicus | 1 |
| 8182696 | 10.1021/jm00036a002 | Mus musculus | 1 |
| 9526557 | 10.1021/jm970416w | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 1534583 | 10.1021/jm00089a003 | Glutamate NMDA receptor | 1 |
| 1534583 | 10.1021/jm00089a003 | Glutamate receptors; NMDA/AMPA | 1 |
| - | 10.1016/S0960-894X(01)80897-0 | Glutamate NMDA receptor | 1 |
| - | 10.1016/S0960-894X(01)80897-0 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine