Compound Detail
CHEMBL12730
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL12730 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNXUJFFLRGBKLM-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
272.2
MW (Da)
1.74
ALogP
7
HBA
2
HBD
114.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA CHEMBL2096617 | Ki | 6.4 | 6.4 | 400.0 | 1 |
| Glutamate receptor ionotropic AMPA CHEMBL2096670 | Ki | 6.4 | 6.4 | 400.0 | 2 |
| Glutamate receptor ionotropic kainate CHEMBL2109241 | Ki | 5.31 | 5.31 | 4900.0 | 1 |
| Glutamate receptor ionotropic, NMDA 2C CHEMBL401 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic AMPA | Ki | = | 400.0 | nM | 6.4 | Displacement of [3H]AMPA from AMPA receptor | - |
| Glutamate receptor ionotropic, AMPA | Ki | = | 400.0 | nM | 6.4 | Compound was tested for binding affinity against Ionotropic glutamate receptor A... | - |
| Glutamate receptor ionotropic AMPA | Ki | = | 400.0 | nM | 6.4 | In vitro binding affinity against AMPA receptor by [3H]AMPA displacement. | - |
| Glutamate receptor ionotropic kainate | Ki | = | 4900.0 | nM | 5.31 | Compound was tested for binding affinity against Ionotropic glutamate receptor k... | - |
| Glutamate receptor ionotropic, NMDA 2C | Ki | = | 10000.0 | nM | 5.0 | Compound was tested for binding affinity against glycine site of NMDA receptor u... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00534-3 | Mus musculus | 2 |
| - | 10.1016/S0960-894X(97)00170-4 | Glutamate receptor ionotropic AMPA | 1 |
| - | 10.1016/S0960-894X(96)00534-3 | Glutamate receptor ionotropic, AMPA | 1 |
| - | 10.1016/S0960-894X(96)00534-3 | Glutamate receptor ionotropic, NMDA 2C | 1 |
| - | 10.1016/S0960-894X(96)00534-3 | Glutamate receptor ionotropic kainate | 1 |
| - | 10.1016/S0960-894X(97)00428-9 | Glutamate receptor ionotropic AMPA | 1 |
Data from ChEMBL 36 via Core Engine