Compound Detail
CHEMBL47945
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Basic Information
| ChEMBL ID | CHEMBL47945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTTOSSMGBBFJEQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
278.2
MW (Da)
-0.71
ALogP
6
HBA
4
HBD
142.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 22000.0 | nM | 4.66 | In vitro inhibition of [3H]CPP binding to NMDA receptor. | 8648608 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8648608 | 10.1021/jm950826p | Glutamate receptor ionotropic, AMPA | 3 |
| 8648608 | 10.1021/jm950826p | Glutamate NMDA receptor | 1 |
| 8648608 | 10.1021/jm950826p | Glutamate receptor ionotropic, kainate | 1 |
Data from ChEMBL 36 via Core Engine