Compound Detail
CHEMBL420125
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Basic Information
| ChEMBL ID | CHEMBL420125 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWDORXFLFUEQIP-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
188.1
MW (Da)
-1.04
ALogP
6
HBA
4
HBD
129.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.3
IC50 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | EC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | EC50 | = | 5000.0 | nM | 5.3 | Inhibition of [3H]-MK-801 binding to EAA receptor sites in rat cortical membrane... | 7523673 |
| Glutamate NMDA receptor | IC50 | = | 7000.0 | nM | 5.16 | Tested in vitro for the concentration required to inhibit [3H]CPP radioligand at... | 7523673 |
| Rattus norvegicus | EC50 | = | 8000.0 | nM | 5.1 | Effective concentration in vitro as electropharmacological activity in the rat c... | 7523673 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7523673 | 10.1021/jm00046a009 | Glutamate NMDA receptor | 2 |
| 7523673 | 10.1021/jm00046a009 | Glutamate receptor ionotropic, AMPA | 1 |
| 7523673 | 10.1021/jm00046a009 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine