Compound Detail
CHEMBL9804
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Basic Information
| ChEMBL ID | CHEMBL9804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAHGTEOUBMOQGI-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
295.3
MW (Da)
1.80
ALogP
5
HBA
3
HBD
125.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Mus musculus CHEMBL375 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
| Glutamate receptor ionotropic, kainate CHEMBL2094119 | IC50 | 4.61 | 4.61 | 24500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 2500.0 | nM | 5.6 | Tested for the ability to inhibit AMPA (5 uM) induced depolarizations in rat cor... | - |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 2800.0 | nM | 5.55 | Tested for the inhibition of binding of [3H]AMPA radioligand to Ionotropic gluta... | - |
| Mus musculus | IC50 | = | 3500.0 | nM | 5.46 | Tested for the [Ca2+] i induced elevation using cultured mouse cortical neurons,... | - |
| Glutamate receptor ionotropic, kainate | IC50 | = | 24500.0 | nM | 4.61 | Tested for the inhibition of binding of [3H]kainate radioligand to Ionotropic gl... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80101-8 | Mus musculus | 3 |
| - | 10.1016/S0960-894X(00)80101-8 | Rattus norvegicus | 2 |
| - | 10.1016/S0960-894X(00)80101-8 | Glutamate receptor ionotropic, AMPA | 1 |
| - | 10.1016/S0960-894X(00)80101-8 | Glutamate receptor ionotropic, kainate | 1 |
Data from ChEMBL 36 via Core Engine