Compound Detail
CHEMBL399275
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL399275 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCVVJCJMDGFGMO-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
6
PK Parameters
5
Publications
0
Known Names
Molecular Properties
396.2
MW (Da)
1.33
ALogP
5
HBA
2
HBD
112.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 CHEMBL2015 | IC50 | 8.1 | 7.4233 | 8.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 771.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 6900.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 6420.0 | ng.hr.mL-1 | Rattus norvegicus |
| F | 41.0 | % | Rattus norvegicus |
| F | 43.0 | % | Rattus norvegicus |
| F | 39.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 8.0 | nM | 8.1 | Antagonist activity at human NMDA NR1 receptor | 17562362 |
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 24.0 | nM | 7.62 | Antagonist activity at human NMDA NR1 receptor | 17562362 |
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 282.0 | nM | 6.55 | 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 | 7 |
| 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