Compound Detail
CHEMBL248443
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Basic Information
| ChEMBL ID | CHEMBL248443 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFJDLZNHABYACJ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
6
PK Parameters
5
Publications
0
Known Names
Molecular Properties
420.2
MW (Da)
2.24
ALogP
4
HBA
2
HBD
103.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 CHEMBL2015 | IC50 | 7.96 | 7.79 | 11.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 168.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 3150.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1260.0 | ng.hr.mL-1 | Rattus norvegicus |
| F | 2.0 | % | Rattus norvegicus |
| F | 26.0 | % | Rattus norvegicus |
| F | 36.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 11.0 | nM | 7.96 | Antagonist activity at human NMDA NR1 receptor | 17562362 |
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 18.0 | nM | 7.75 | Antagonist activity at human NMDA NR1 receptor | 17562362 |
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 22.0 | nM | 7.66 | Antagonist activity at human NMDA NR1 receptor | 17562362 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17562362 | 10.1016/j.bmcl.2007.05.083 | Rattus norvegicus | 9 |
| 17562362 | 10.1016/j.bmcl.2007.05.083 | Liver microsomes | 6 |
| 17562362 | 10.1016/j.bmcl.2007.05.083 | Glutamate receptor ionotropic, NMDA 1 | 3 |
| 17562362 | 10.1016/j.bmcl.2007.05.083 | Caco-2 | 2 |
| 17562362 | 10.1016/j.bmcl.2007.05.083 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine