Compound Detail
CHEMBL4202517
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Basic Information
| ChEMBL ID | CHEMBL4202517 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLSAPISKMYKKKS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
3.91
ALogP
5
HBA
0
HBD
43.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B CHEMBL1904 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Glutamate NMDA receptor; GRIN1/GRIN2B CHEMBL1907603 | IC50 | 7.7 | 7.7 | 19.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; GRIN1/GRIN2B | IC50 | = | 19.95 | nM | 7.7 | Modulation of recombinant human GluN1/GluN2B NMDA receptor expressed in mammalia... | 28947933 |
| Glutamate receptor ionotropic, NMDA 2B | IC50 | = | 20.0 | nM | 7.7 | Inhibition of Specific Binding to the Rat NR1/NR2B Receptor: The assay depends o... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28947933 | 10.1021/acsmedchemlett.7b00309 | Glutamate NMDA receptor; GRIN1/GRIN2B | 1 |
Data from ChEMBL 36 via Core Engine