Compound Detail
CHEMBL200337
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Basic Information
| ChEMBL ID | CHEMBL200337 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLRLZPOBHPIDFX-NSHDSACASA-N |
4
Targets
7
Activities
3
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
333.3
MW (Da)
-0.83
ALogP
7
HBA
3
HBD
144.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.0
Kd 2 meas. best 5.03
Ki 1 meas. best 4.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 CHEMBL2919 | Kd | 5.03 | 5.03 | 9250.0 | 1 |
| Glutamate receptor ionotropic, kainate 5 CHEMBL4041 | Kd | 5.03 | 5.03 | 9250.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 4.99 | 4.99 | 10300.0 | 2 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | Ki | 4.87 | 4.87 | 13400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 | Kd | = | 9250.0 | nM | 5.03 | Antagonism on GLUK5 containing kainate induced depolarization of isolated neonat... | 16302825 |
| Glutamate receptor ionotropic, kainate 5 | Kd | = | 9250.0 | nM | 5.03 | Antagonist activity against GLUK5-containing kainate receptor by inhibition of k... | 16610801 |
| Unchecked | IC50 | = | 10000.0 | nM | 5.0 | Antagonist activity at rat AMPA receptor assessed as reduction of fDR-VRP in spi... | 23432124 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 10300.0 | nM | 4.99 | Antagonist activity on AMPA receptor expressed on rat motoneurons by its ability... | 16302825 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 10300.0 | nM | 4.99 | Antagonist activity against AMPA receptor expressed in motoneurones by inhibitio... | 16610801 |
| Glutamate receptor ionotropic, AMPA | Ki | = | 13400.0 | nM | 4.87 | Displacement of [3H](S)-5-fluorowillardiine from AMPA receptor in rat brain memb... | 16302825 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16302825 | 10.1021/jm050584l | Glutamate receptor ionotropic, AMPA | 3 |
| 16302825 | 10.1021/jm050584l | Glutamate receptor ionotropic, kainate 1 | 1 |
| 16302825 | 10.1021/jm050584l | Glutamate receptor ionotropic, kainate 2 | 1 |
| 16610801 | 10.1021/jm051086f | Glutamate receptor ionotropic, kainate 5 | 1 |
| 16610801 | 10.1021/jm051086f | Glutamate receptor ionotropic, AMPA | 1 |
| 16610801 | 10.1021/jm051086f | Glutamate receptor ionotropic, kainate 2 | 1 |
| 23432124 | 10.1021/jm301590z | Glutamate receptor 2 | 1 |
| 23432124 | 10.1021/jm301590z | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine