Compound Detail
CHEMBL247323
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Basic Information
| ChEMBL ID | CHEMBL247323 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWWCPLDJCABVCP-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
4
PK Parameters
2
Publications
0
Known Names
Molecular Properties
336.3
MW (Da)
3.93
ALogP
3
HBA
1
HBD
45.5
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.23
Ki 1 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B CHEMBL1904 | Ki | 8.44 | 8.44 | 3.6 | 1 |
| Glutamate receptor ionotropic, NMDA 2B CHEMBL1904 | IC50 | 8.23 | 8.23 | 5.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 66.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 215.0 | nM | Rattus norvegicus |
| F | 5.0 | % | Rattus norvegicus |
| T1/2 | 2.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B | Ki | = | 3.6 | nM | 8.44 | Binding affinity to NMDA NR2B receptor | 17498948 |
| Glutamate receptor ionotropic, NMDA 2B | IC50 | = | 5.9 | nM | 8.23 | Antagonist activity at NMDA NR2B receptor assessed as calcium flux | 17498948 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17498948 | 10.1016/j.bmcl.2007.04.084 | Rattus norvegicus | 5 |
| 17498948 | 10.1016/j.bmcl.2007.04.084 | Glutamate receptor ionotropic, NMDA 2B | 2 |
Data from ChEMBL 36 via Core Engine