Compound Detail
CHEMBL446405
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Basic Information
| ChEMBL ID | CHEMBL446405 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWFSJGOALSQSQS-JXUBOQSCSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
-0.05
ALogP
6
HBA
3
HBD
113.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.23 | 4.89 | 5900.0 | 2 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 4.62 | 4.575 | 24000.0 | 2 |
| Glutamate receptor ionotropic, kainate CHEMBL2094119 | IC50 | 4.26 | 4.26 | 55000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 5900.0 | nM | 5.23 | Binding affinity at N-methyl-D-aspartate glutamate receptor in rat cortical tiss... | 8667365 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 24000.0 | nM | 4.62 | Binding affinity at Ionotropic glutamate receptor AMPA in rat cortical tissue by... | 8667365 |
| Glutamate NMDA receptor | IC50 | = | 28300.0 | nM | 4.55 | Compound was tested for NMDA receptor antagonistic activity by measuring its abi... | 8667365 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 29500.0 | nM | 4.53 | AMPA receptor antagonistic activity as inhibition of depolarizations induced by ... | 8667365 |
| Glutamate receptor ionotropic, kainate | IC50 | = | 55000.0 | nM | 4.26 | Binding affinity at Ionotropic glutamate receptor kainate in rat cortical tissue... | 8667365 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8667366 | 10.1021/jm950913h | Mus musculus | 4 |
| 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 |
Data from ChEMBL 36 via Core Engine