Compound Detail
CHEMBL31718
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 | CHEMBL31718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNVNXHMNESKCEC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
421.9
MW (Da)
5.54
ALogP
5
HBA
2
HBD
71.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 2.2 | nM | 8.66 | Inhibition of the binding of [3H]L-689,560 ([3H]-4) to the strychnine-insensitiv... | 8182696 |
| Glutamate NMDA receptor | IC50 | = | 2.2 | nM | 8.66 | Affinity for the glycine binding site on rat N-methyl-D-aspartate glutamate rece... | 9406596 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8182696 | 10.1021/jm00036a002 | Mus musculus | 2 |
| 8182696 | 10.1021/jm00036a002 | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 8182696 | 10.1021/jm00036a002 | Rattus norvegicus | 1 |
| 9406596 | 10.1021/jm970417o | Albumin | 1 |
| 9406596 | 10.1021/jm970417o | Mus musculus | 1 |
| 9406596 | 10.1021/jm970417o | Glutamate NMDA receptor | 1 |
| 9406596 | 10.1021/jm970417o | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine