Compound Detail
CHEMBL83198
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Basic Information
| ChEMBL ID | CHEMBL83198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVQLTEKPZZTDBI-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
364.1
MW (Da)
1.03
ALogP
6
HBA
5
HBD
135.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 7.0 | 7.0 | 100.0 | 2 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 100.0 | nM | 7.0 | In vitro inhibition of binding of [3H]MDL-105519 towards glycine binding site of... | 10021939 |
| Glutamate NMDA receptor | IC50 | = | 100.0 | nM | 7.0 | Displacement of [3H](E)-3-(2-carboxy-2-phenylvinyl)-4,6-dichloro-1H-indole-2-car... | 20356304 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 2400.0 | nM | 5.62 | In vitro inhibition of binding of [3H]AMPA towards AMPA receptor in rat | 10021939 |
| Unchecked | IC50 | = | 2400.0 | nM | 5.62 | Displacement of [3H]AMPA from AMPA receptor in rat cortical membrane | 20356304 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10021939 | 10.1016/s0960-894x(98)00720-3 | Glutamate receptor ionotropic, AMPA | 1 |
| 10021939 | 10.1016/s0960-894x(98)00720-3 | Glutamate NMDA receptor | 1 |
| 10021939 | 10.1016/s0960-894x(98)00720-3 | Mus musculus | 1 |
| 20356304 | 10.1021/jm901688m | Glutamate NMDA receptor | 1 |
| 20356304 | 10.1021/jm901688m | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine