Compound Detail
CHEMBL79961
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Basic Information
| ChEMBL ID | CHEMBL79961 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGMMCCFAMLWLOH-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1205304 |
| Active Moiety | CHEMBL1205304 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
210.2
MW (Da)
-0.43
ALogP
5
HBA
2
HBD
90.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 550.0 | nM | 6.26 | Displacement of [3H]CPP from rat brain synaptic membrane N-methyl-D-aspartate gl... | 9457246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9457246 | 10.1021/jm970504g | Glutamate NMDA receptor | 2 |
| 9457246 | 10.1021/jm970504g | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine