Compound Detail
CHEMBL324519
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 | CHEMBL324519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNISVGSZMGXKHE-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
3.31
ALogP
3
HBA
2
HBD
53.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.14
Ki 2 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | Ki | 5.35 | 5.35 | 4500.0 | 1 |
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | IC50 | 5.14 | 5.14 | 7290.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 4.91 | 4.91 | 12200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 | Ki | = | 4500.0 | nM | 5.35 | Ability to displace strychnine-insensitive [3H]glycine binding to rat cortical m... | 1326635 |
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 7290.0 | nM | 5.14 | Inhibition of [3H]-MK-801 binding to a N-methyl-D-aspartic acid(NMDA) receptor i... | 1326635 |
| Glutamate NMDA receptor | IC50 | = | 7500.0 | nM | 5.12 | Affinity for the glycine binding site on rat N-methyl-D-aspartate glutamate rece... | 9406596 |
| Glutamate NMDA receptor | Ki | = | 12200.0 | nM | 4.91 | Inhibition of [3H]glycine binding to NMDA receptor in rat brain membranes | 16451052 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28689097 | 10.1016/j.ejmech.2017.06.061 | Mycobacterium tuberculosis | 4 |
| 28689097 | 10.1016/j.ejmech.2017.06.061 | Salmonella typhimurium | 4 |
| 9406596 | 10.1021/jm970417o | Glutamate NMDA receptor | 2 |
| 1326635 | 10.1021/jm00096a019 | Glutamate receptor ionotropic, NMDA 1 | 2 |
| 28689097 | 10.1016/j.ejmech.2017.06.061 | Mycobacterium avium | 2 |
| 9406596 | 10.1021/jm970417o | Albumin | 1 |
| 9406596 | 10.1021/jm970417o | Mus musculus | 1 |
| 9406596 | 10.1021/jm970417o | No relevant target | 1 |
| 16451052 | 10.1021/jm0503493 | Glutamate NMDA receptor | 1 |
| 16784844 | 10.1016/j.bmcl.2006.06.014 | Fatty acid synthase | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| 26544629 | 10.1016/j.ejmech.2015.10.008 | Mycobacterium tuberculosis | 1 |
| 28689097 | 10.1016/j.ejmech.2017.06.061 | MRC5 | 1 |
| 28689097 | 10.1016/j.ejmech.2017.06.061 | ADMET | 1 |
| 28689097 | 10.1016/j.ejmech.2017.06.061 | Mycobacterium tuberculosis variant bovis | 1 |
| 28689097 | 10.1016/j.ejmech.2017.06.061 | Mycolicibacterium smegmatis | 1 |
Data from ChEMBL 36 via Core Engine