Compound Detail
CHEMBL30161
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Basic Information
| ChEMBL ID | CHEMBL30161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPMRCCNDNGONCD-PHDIDXHHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
223.2
MW (Da)
-0.38
ALogP
3
HBA
4
HBD
106.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 6.35 | 6.345 | 450.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 450.0 | nM | 6.35 | Displacement of [3H]CPP from N-methyl-D-aspartate glutamate receptor in rat brai... | 1533422 |
| Glutamate NMDA receptor | IC50 | = | 452.0 | nM | 6.34 | Inhibition of [3H]-CGS- 19755 binding to N-methyl-D-aspartate glutamate receptor... | 2549246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2549246 | 10.1021/jm00129a025 | Mus musculus | 2 |
| 2549246 | 10.1021/jm00129a025 | Glutamate NMDA receptor | 1 |
| 1533422 | 10.1021/jm00086a004 | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine