Compound Detail
CHEMBL72123
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Basic Information
| ChEMBL ID | CHEMBL72123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACTONBBIVMTUAJ-QEYWKRMJSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
0.22
ALogP
5
HBA
3
HBD
103.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 6.09 | 5.99 | 820.0 | 3 |
| Rattus norvegicus CHEMBL376 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 4.07 | 4.07 | 84500.0 | 1 |
| Glutamate receptor ionotropic AMPA CHEMBL2096670 | IC50 | 4.07 | 4.07 | 84500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 820.0 | nM | 6.09 | Binding affinity against NMDA receptor using [3H]-CGS- 19755 as a radioligand in... | 8523401 |
| Glutamate NMDA receptor | IC50 | = | 940.0 | nM | 6.03 | Binding affinity at N-methyl-D-aspartate glutamate receptor in rat cortical tiss... | 8667365 |
| Rattus norvegicus | IC50 | = | 1400.0 | nM | 5.85 | Inhibitory activity against compound induced depolarization of NMDA receptor in ... | 8523401 |
| Glutamate NMDA receptor | IC50 | = | 1400.0 | nM | 5.85 | Compound was tested for NMDA receptor antagonistic activity by measuring its abi... | 8667365 |
| Glutamate receptor ionotropic AMPA | IC50 | = | 84500.0 | nM | 4.07 | Binding affinity against Ionotropic glutamate receptor AMPA using [3H]AMPA as a ... | 8523401 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 84500.0 | nM | 4.07 | Binding affinity at Ionotropic glutamate receptor AMPA in rat cortical tissue by... | 8667365 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8523401 | 10.1021/jm00025a005 | Rattus norvegicus | 3 |
| 8667365 | 10.1021/jm950912p | Glutamate NMDA receptor | 2 |
| 8667365 | 10.1021/jm950912p | Glutamate receptor ionotropic, AMPA | 2 |
| 8667365 | 10.1021/jm950912p | Glutamate receptor ionotropic, kainate | 2 |
| 8523401 | 10.1021/jm00025a005 | Glutamate NMDA receptor | 1 |
| 8523401 | 10.1021/jm00025a005 | Glutamate receptor ionotropic AMPA | 1 |
| 8523401 | 10.1021/jm00025a005 | Glutamate receptor ionotropic kainate | 1 |
Data from ChEMBL 36 via Core Engine