Compound Detail
CHEMBL304282
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CCOC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3cc(OC)no3)CC[C@H]2CN1C(=O)OC
Basic Information
| ChEMBL ID | CHEMBL304282 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNWGNVQUKWEUFM-DLTWYDFYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
3.05
ALogP
7
HBA
0
HBD
91.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 4.86 | 4.82 | 13800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA | IC50 | = | 13800.0 | nM | 4.86 | Binding affinity against Ionotropic glutamate receptor AMPA using [3H]AMPA 19755... | 8667366 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 16500.0 | nM | 4.78 | Antagonism at AMPA receptor by inhibition of depolarizations induced by 40 uM AM... | 8667366 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8667366 | 10.1021/jm950913h | Glutamate NMDA receptor | 2 |
| 8667366 | 10.1021/jm950913h | Glutamate receptor ionotropic, AMPA | 2 |
| 8667366 | 10.1021/jm950913h | Glutamate receptor ionotropic, kainate | 2 |
Data from ChEMBL 36 via Core Engine