Compound Detail
CHEMBL71898
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 | CHEMBL71898 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOROEQBFPPIACJ-BYPYZUCNSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
197.1
MW (Da)
-0.64
ALogP
3
HBA
4
HBD
120.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.54
Ki 2 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2A CHEMBL310 | IC50 | 6.54 | 6.18 | 290.0 | 2 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 6.46 | 5.5 | 350.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2A | IC50 | = | 290.0 | nM | 6.54 | Inhibition of [3H]CPP binding to rat N-methyl-D-aspartic acid receptor 2A | 16107147 |
| Glutamate NMDA receptor | IC50 | = | 350.0 | nM | 6.46 | Inhibition of [3H]-CGS- 19755 binding to N-methyl-D-aspartic acid receptors in r... | 2549246 |
| Glutamate receptor ionotropic, NMDA 2A | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of [3H]Glu binding to rat N-methyl-D-aspartic acid receptor 2A | 16107147 |
| Glutamate NMDA receptor | IC50 | = | 29000.0 | nM | 4.54 | In vitro binding affinity for rat cortical membrane N-methyl-D-aspartate glutama... | 12825948 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2549246 | 10.1021/jm00129a025 | Mus musculus | 2 |
| 16107147 | 10.1021/jm050174x | Glutamate receptor ionotropic, NMDA 2A | 2 |
| 17346858 | 10.1016/j.ejmech.2007.01.013 | Unchecked | 2 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 1 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 2 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 4 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 5 | 1 |
| 12825948 | 10.1021/jm0308085 | Glutamate NMDA receptor | 1 |
| 7996540 | 10.1021/jm00051a005 | Unchecked | 1 |
| 2549246 | 10.1021/jm00129a025 | Glutamate NMDA receptor | 1 |
| 18462943 | 10.1016/j.bmc.2008.04.015 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine