Compound Detail
CHEMBL84990
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Basic Information
| ChEMBL ID | CHEMBL84990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGCLKYODUBTNNY-RXMQYKEDSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
344.2
MW (Da)
0.56
ALogP
8
HBA
5
HBD
178.9
PSA (Ų)
0.29
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 32.0 | nM | 7.5 | Displacement of [3H](E)-3-(2-carboxy-2-phenylvinyl)-4,6-dichloro-1H-indole-2-car... | 20356304 |
| Unchecked | IC50 | = | 170.0 | nM | 6.77 | Displacement of [3H]AMPA from AMPA receptor in rat cortical membrane | 20356304 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 380.0 | nM | 6.42 | In vitro inhibition of binding of [3H]AMPA towards AMPA receptor in rat | 10021939 |
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 receptor ionotropic, NMDA 1 | 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