Compound Detail
CHEMBL114829
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Basic Information
| ChEMBL ID | CHEMBL114829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HEGHXCJFELCARU-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1180139 |
| Active Moiety | CHEMBL1180139 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
361.3
MW (Da)
1.42
ALogP
5
HBA
4
HBD
146.6
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 8.19 | 6.72 | 6.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 6.5 | nM | 8.19 | Tested for binding affinity against NMDA receptor, from rat synaptic membrane, u... | 8093907 |
| Glutamate NMDA receptor | IC50 | = | 5600.0 | nM | 5.25 | Tested for binding affinity against NMDA receptor, from rat synaptic membrane, u... | 8093907 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8093907 | 10.1021/jm00055a004 | Glutamate NMDA receptor | 3 |
Data from ChEMBL 36 via Core Engine