Compound Detail
CHEMBL441460
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 | CHEMBL441460 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GEEFQPZFVXQGCJ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
253.2
MW (Da)
-0.87
ALogP
8
HBA
3
HBD
140.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.96
IC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic AMPA CHEMBL2096670 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic AMPA | IC50 | = | 700.0 | nM | 6.16 | In vitro binding affinity against Ionotropic glutamate receptor AMPA using [3H]A... | 9288165 |
| Rattus norvegicus | EC50 | = | 11000.0 | nM | 4.96 | Electrophysiological study in rat cortical slice model | 9288165 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9288165 | 10.1021/jm970253b | Glutamate receptor ionotropic AMPA | 1 |
| 9288165 | 10.1021/jm970253b | Glutamate receptor ionotropic kainate | 1 |
| 9288165 | 10.1021/jm970253b | Glutamate [NMDA] receptor | 1 |
| 9288165 | 10.1021/jm970253b | Rattus norvegicus | 1 |
| 9288165 | 10.1021/jm970253b | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine