Compound Detail
CHEMBL1169964
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 | CHEMBL1169964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEJKYNUTJGTYGY-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
1.78
ALogP
4
HBA
6
HBD
123.8
PSA (Ų)
0.26
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 6.12 | 5.49 | 760.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 760.0 | nM | 6.12 | Displacement of [3H]-ifenprodil from rat cortical membranes NMDA receptor by bet... | 26117647 |
| Glutamate NMDA receptor | IC50 | = | 1400.0 | nM | 5.85 | Displacement of [3H]TCP from NMDA receptor in rat brain striatum | 20427101 |
| Glutamate NMDA receptor | IC50 | = | 2010.0 | nM | 5.7 | Displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor by beta co... | 26117647 |
| Glutamate NMDA receptor | IC50 | = | 50700.0 | nM | 4.29 | Displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor by beta co... | 26117647 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20427101 | 10.1016/j.ejmech.2010.03.044 | Mus musculus | 34 |
| 26117647 | 10.1016/j.bmc.2015.06.012 | Glutamate NMDA receptor | 4 |
| 24630693 | 10.1016/j.bmc.2014.02.049 | Mus musculus | 2 |
| 20427101 | 10.1016/j.ejmech.2010.03.044 | NON-PROTEIN TARGET | 1 |
| 20427101 | 10.1016/j.ejmech.2010.03.044 | Glutamate NMDA receptor | 1 |
| 27287367 | 10.1016/j.bmcl.2016.05.071 | Transmembrane protease serine 6 | 1 |
Data from ChEMBL 36 via Core Engine