Compound Detail
CHEMBL399075
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Basic Information
| ChEMBL ID | CHEMBL399075 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXDPOUZVXKECRF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
422.3
MW (Da)
1.86
ALogP
5
HBA
2
HBD
112.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 CHEMBL2015 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1490.0 | ng.hr.mL-1 | Rattus norvegicus |
| F | 53.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 39.0 | nM | 7.41 | 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 | 2 |
| 17562362 | 10.1016/j.bmcl.2007.05.083 | Liver microsomes | 2 |
| 17562362 | 10.1016/j.bmcl.2007.05.083 | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 17562362 | 10.1016/j.bmcl.2007.05.083 | No relevant target | 1 |
| 17562362 | 10.1016/j.bmcl.2007.05.083 | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine