Compound Detail
CHEMBL98820
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Basic Information
| ChEMBL ID | CHEMBL98820 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZZAWPRREFURFK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
397.4
MW (Da)
3.99
ALogP
5
HBA
2
HBD
82.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 5.15 | 5.15 | 7100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 130.0 | nM | 6.89 | In vitro binding affinity towards glycine modulatory site on the NMDA receptors ... | 10571148 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 7100.0 | nM | 5.15 | In vitro binding affinity towards ionotropic glutamate receptor AMPA using [3H]A... | 10571148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10571148 | 10.1016/s0960-894x(99)00502-8 | Glutamate receptor ionotropic, AMPA | 1 |
| 10571148 | 10.1016/s0960-894x(99)00502-8 | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine