Compound Detail
CHEMBL431029
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Basic Information
| ChEMBL ID | CHEMBL431029 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLCWOBHEVRCMLO-SCSAIBSYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
211.1
MW (Da)
-1.46
ALogP
4
HBA
4
HBD
137.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.96
Ki 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Glutamate receptor ionotropic, NMDA 2A CHEMBL310 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.96 | 6.96 | 109.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 110.0 | nM | 6.96 | Tested for the binding potency against NMDA site of the glutamate receptor compl... | - |
| Glutamate receptor ionotropic, NMDA 2A | IC50 | = | 110.0 | nM | 6.96 | Inhibition of [3H]CPP binding to rat N-methyl-D-aspartic acid receptor 2A | 16107147 |
| Unchecked | Ki | = | 109.0 | nM | 6.96 | In vitro binding affinity towards N-methyl-D-aspartate glutamate receptor of the... | 1977908 |
| Rattus norvegicus | IC50 | = | 5900.0 | nM | 5.23 | Percent inhibition of glutamate activity against cGMP was determined | 1977908 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16107147 | 10.1021/jm050174x | Glutamate receptor ionotropic, NMDA 2A | 2 |
| - | 10.1016/S0960-894X(00)80085-2 | Glutamate NMDA receptor | 1 |
| 1977908 | 10.1021/jm00173a009 | Unchecked | 1 |
| 1977908 | 10.1021/jm00173a009 | Rattus norvegicus | 1 |
| 1977908 | 10.1021/jm00173a009 | Glutamate receptor ionotropic, kainate 3 | 1 |
| 1977908 | 10.1021/jm00173a009 | Glutamate receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine