Compound Detail
CHEMBL80628
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Basic Information
| ChEMBL ID | CHEMBL80628 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIPYNMRUUNEIEA-ZXXMMSQZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
203.2
MW (Da)
-1.01
ALogP
4
HBA
3
HBD
109.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Glutamate receptor ionotropic, kainate CHEMBL2094119 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate | IC50 | = | 4000.0 | nM | 5.4 | Compound was evaluated for the inhibition of [3H]-KA binding to Ionotropic gluta... | - |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 4000.0 | nM | 5.4 | Compound was evaluated for the inhibition of [3H]AMPA binding to Ionotropic glut... | - |
| Glutamate NMDA receptor | IC50 | = | 50000.0 | nM | 4.3 | Compound was evaluated for the inhibition of [3H]CGS-19,755 binding to NMDA rece... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8558509 | 10.1021/jm9502908 | No relevant target | 3 |
| - | 10.1016/0960-894X(96)00436-2 | Glutamate receptor ionotropic, kainate | 1 |
| - | 10.1016/0960-894X(96)00436-2 | Glutamate receptor ionotropic, AMPA | 1 |
| - | 10.1016/0960-894X(96)00436-2 | Glutamate NMDA receptor | 1 |
| 8558509 | 10.1021/jm9502908 | Rattus norvegicus | 1 |
| 8558509 | 10.1021/jm9502908 | Glutamate receptor ionotropic, kainate | 1 |
Data from ChEMBL 36 via Core Engine