Compound Detail
CHEMBL310503
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O=C(O)Cn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(-n3ccc(CNC(=O)Nc4cccc(C(=O)O)c4)c3)cc21
Basic Information
| ChEMBL ID | CHEMBL310503 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORECTEKXMCPJTB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
545.4
MW (Da)
2.60
ALogP
7
HBA
5
HBD
175.5
PSA (Ų)
0.22
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic AMPA CHEMBL2096670 | Ki | 7.7 | 7.7 | 20.0 | 1 |
| Glutamate receptor ionotropic kainate CHEMBL2109241 | Ki | 5.17 | 5.17 | 6700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic AMPA | Ki | = | 20.0 | nM | 7.7 | In vitro binding affinity against AMPA receptor by [3H]AMPA displacement. | - |
| Glutamate receptor ionotropic kainate | Ki | = | 6700.0 | nM | 5.17 | 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