Compound Detail
CHEMBL279648
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O=C(O)[C@@H]1C[C@H]2C[C@@H](Cc3cccc(-c4nn[nH]n4)c3)CC[C@H]2CN1
Basic Information
| ChEMBL ID | CHEMBL279648 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUVAMHROSNRKCJ-BVUBDWEXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
1.89
ALogP
5
HBA
3
HBD
103.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of [3H]-CGS-19,755 binding to NMDA 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