Compound Detail
CHEMBL79348
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O=C(NCc1ccn(-c2cc3nc(O)c(O)nc3cc2C(F)(F)F)c1)Nc1ccc(C(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL79348 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEIZTUVTFIGEKQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
487.4
MW (Da)
3.87
ALogP
7
HBA
5
HBD
149.6
PSA (Ų)
0.29
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic AMPA CHEMBL2096670 | Ki | 7.27 | 7.27 | 54.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic AMPA | Ki | = | 54.0 | nM | 7.27 | In vitro binding affinity against AMPA receptor by [3H]AMPA displacement. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00428-9 | Mus musculus | 3 |
| - | 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