Compound Detail
CHEMBL102574
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Basic Information
| ChEMBL ID | CHEMBL102574 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXGOSNKBNBJAGV-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
226.6
MW (Da)
1.48
ALogP
3
HBA
1
HBD
72.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 6.39 | 6.3867 | 410.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | IC50 | 6.38 | 6.38 | 414.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 410.0 | nM | 6.39 | Compound was evaluated for high binding affinity towards glycine site on the NMD... | 8523401 |
| Glutamate NMDA receptor | IC50 | = | 410.0 | nM | 6.39 | In vitro inhibition of [3H]glycine at NMDA receptor | 7990104 |
| Glutamate NMDA receptor | IC50 | = | 410.0 | nM | 6.39 | Displacement of [3H]L-689,560 from NMDA receptor glycine site of rat brain membr... | - |
| Glutamate NMDA receptor | IC50 | = | 414.0 | nM | 6.38 | Affinity for the glycine binding site on rat N-methyl-D-aspartate glutamate rece... | 9406596 |
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 414.0 | nM | 6.38 | Binding affinity towards NMDA receptor to displace [3H]L-689,560 from rat cortic... | 8230130 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8523401 | 10.1021/jm00025a005 | Rattus norvegicus | 2 |
| 7990104 | 10.1021/jm00050a001 | Glutamate NMDA receptor | 2 |
| 8230130 | 10.1021/jm00074a021 | Rattus norvegicus | 2 |
| 8230130 | 10.1021/jm00074a021 | Mus musculus | 1 |
| 8523401 | 10.1021/jm00025a005 | Unchecked | 1 |
| 8230130 | 10.1021/jm00074a021 | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 9357535 | 10.1021/jm970396y | Mus musculus | 1 |
| 9357535 | 10.1021/jm970396y | Glutamate receptor ionotropic, AMPA | 1 |
| 9357535 | 10.1021/jm970396y | Glutamate receptor ionotropic, NMDA 1 | 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 |
| 9406596 | 10.1021/jm970417o | Glutamate NMDA receptor | 1 |
| 9406596 | 10.1021/jm970417o | Mus musculus | 1 |
| 9406596 | 10.1021/jm970417o | Albumin | 1 |
| 7990104 | 10.1021/jm00050a001 | Mus musculus | 1 |
| 8523401 | 10.1021/jm00025a005 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine