Compound Detail
CHEMBL82375
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CCOC(=O)c1cccc(NC(=O)NCc2ccn(-c3cc4c(cc3C(F)(F)F)[nH]c(=O)c(=O)n4CC(=O)O)c2)c1
Basic Information
| ChEMBL ID | CHEMBL82375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MAEGSWBPNOKENQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
573.5
MW (Da)
3.08
ALogP
8
HBA
4
HBD
164.5
PSA (Ų)
0.19
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic AMPA CHEMBL2096670 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| Glutamate receptor ionotropic kainate CHEMBL2109241 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic AMPA | Ki | = | 4.0 | nM | 8.4 | In vitro binding affinity against AMPA receptor by [3H]AMPA displacement. | - |
| Glutamate receptor ionotropic kainate | Ki | = | 1200.0 | nM | 5.92 | The compound was tested for binding affinity against Kainate binding site using ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00428-9 | Mus musculus | 2 |
| - | 10.1016/S0960-894X(97)00428-9 | Glutamate receptor ionotropic AMPA | 1 |
| - | 10.1016/S0960-894X(97)00428-9 | Glutamate NMDA receptor | 1 |
| - | 10.1016/S0960-894X(97)00428-9 | Glutamate receptor ionotropic kainate | 1 |
Data from ChEMBL 36 via Core Engine