Compound Detail
CHEMBL247113
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Basic Information
| ChEMBL ID | CHEMBL247113 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCSHOZRRLWJMKY-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
409.6
MW (Da)
5.64
ALogP
3
HBA
1
HBD
33.6
PSA (Ų)
0.71
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.43
Ki 1 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B CHEMBL1904 | Ki | 6.65 | 6.65 | 223.0 | 1 |
| Glutamate receptor ionotropic, NMDA 2B CHEMBL1904 | IC50 | 5.43 | 5.43 | 3670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B | Ki | = | 223.0 | nM | 6.65 | Binding affinity to NMDA NR2B receptor | 17498948 |
| Glutamate receptor ionotropic, NMDA 2B | IC50 | = | 3670.0 | nM | 5.43 | 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 | Glutamate receptor ionotropic, NMDA 2B | 2 |
Data from ChEMBL 36 via Core Engine