Compound Detail
CHEMBL280498
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O=C(O)[C@@H]1C[C@H]2C[C@@H](c3cccc(-c4nn[nH]n4)c3)CC[C@H]2CN1
Basic Information
| ChEMBL ID | CHEMBL280498 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWBVBNSTVSBYQK-MHEUCROKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
1.81
ALogP
5
HBA
3
HBD
103.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 4.17 | 4.17 | 66900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA | IC50 | = | 66900.0 | nM | 4.17 | Inhibition of [3H]AMPA binding to AMPA receptor of rat brain membranes. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00185-6 | Glutamate receptor ionotropic, AMPA | 2 |
| - | 10.1016/S0960-894X(97)00185-6 | Glutamate NMDA receptor | 2 |
Data from ChEMBL 36 via Core Engine