Compound Detail
CHEMBL31661
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Basic Information
| ChEMBL ID | CHEMBL31661 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDXQSWLUXKUQSI-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
271.7
MW (Da)
3.55
ALogP
2
HBA
2
HBD
53.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.77
Ki 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 6.82 | 6.82 | 151.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 6.77 | 6.765 | 170.0 | 2 |
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | IC50 | 6.77 | 6.77 | 170.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 151.0 | nM | 6.82 | Inhibition of [3H]glycine binding to NMDA receptor in rat brain membranes | 16451052 |
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 170.0 | nM | 6.77 | In vitro ability to displace [3H]L-689,560 binding to glycine site on the N-meth... | 9057862 |
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 170.0 | nM | 6.77 | Inhibition of the binding of [3H]L-689,560 ([3H]-4) to the strychnine-insensitiv... | 8182696 |
| Glutamate NMDA receptor | IC50 | = | 170.0 | nM | 6.77 | Displacement of [3H]L-689,560 from NMDA receptor glycine site of rat brain membr... | - |
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 170.0 | nM | 6.77 | Compound was evaluated for its ability to displace [3H]-L-689,560 from rat corti... | - |
| Glutamate NMDA receptor | IC50 | = | 172.0 | nM | 6.76 | Affinity for the glycine binding site on rat N-methyl-D-aspartate glutamate rece... | 9406596 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8182696 | 10.1021/jm00036a002 | Mus musculus | 2 |
| 9406596 | 10.1021/jm970417o | Glutamate NMDA receptor | 1 |
| 16451052 | 10.1021/jm0503493 | Glutamate NMDA receptor | 1 |
| - | 10.1016/0960-894X(95)00470-E | No relevant target | 1 |
| - | 10.1016/0960-894X(95)00374-3 | Mus musculus | 1 |
| - | 10.1016/0960-894X(95)00374-3 | Glutamate receptor ionotropic, NMDA 1 | 1 |
| - | 10.1016/S0960-894X(01)80897-0 | No relevant target | 1 |
| - | 10.1016/S0960-894X(01)80897-0 | Rattus norvegicus | 1 |
| - | 10.1016/S0960-894X(01)80897-0 | Glutamate NMDA receptor | 1 |
| 9406596 | 10.1021/jm970417o | No relevant target | 1 |
| 9057862 | 10.1021/jm9605492 | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 9406596 | 10.1021/jm970417o | Mus musculus | 1 |
| 9406596 | 10.1021/jm970417o | Unchecked | 1 |
| 9406596 | 10.1021/jm970417o | Albumin | 1 |
| 8182696 | 10.1021/jm00036a002 | Rattus norvegicus | 1 |
| 8182696 | 10.1021/jm00036a002 | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 9057862 | 10.1021/jm9605492 | Mus musculus | 1 |
| 9057862 | 10.1021/jm9605492 | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine