Compound Detail
CHEMBL98814
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Basic Information
| ChEMBL ID | CHEMBL98814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJNNLNHBBKKFFN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
188.2
MW (Da)
-1.57
ALogP
4
HBA
3
HBD
89.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of N-methyl-D-aspartate glutamate receptor by using [3H]CPP as a radi... | 2145436 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2145436 | 10.1021/jm00172a037 | Glutamate NMDA receptor | 2 |
Data from ChEMBL 36 via Core Engine