Compound Detail
CHEMBL229832
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Basic Information
| ChEMBL ID | CHEMBL229832 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPNZJMRYHSZTQP-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
284.5
MW (Da)
0.71
ALogP
5
HBA
4
HBD
76.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.72
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | EC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | EC50 | = | 1900.0 | nM | 5.72 | Stimulation of [3H]MK-801 binding to rat brain NMDA receptor | 17112642 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17112642 | 10.1016/j.ejmech.2006.09.017 | Glutamate NMDA receptor | 3 |
Data from ChEMBL 36 via Core Engine