Compound Detail
CHEMBL1950808
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Basic Information
| ChEMBL ID | CHEMBL1950808 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWWXIZOMXGOTPP-MSOLQXFVSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
378.4
MW (Da)
1.94
ALogP
4
HBA
3
HBD
106.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2c CHEMBL2096911 | Ki | 7.16 | 7.16 | 70.0 | 1 |
| Ionotropic glutamate receptor NMDA 1/2D CHEMBL3038506 | Ki | 7.05 | 7.05 | 90.0 | 1 |
| Glutamate NMDA receptor; Grin1/Grin2a CHEMBL2096680 | Ki | 6.68 | 6.68 | 210.0 | 1 |
| Glutamate NMDA receptor; Grin1/Grin2b CHEMBL2096666 | Ki | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2c | Ki | = | 70.0 | nM | 7.16 | Antagonist activity rat recombinant GluN1/GluN2C receptor expressed in Xenopus l... | 22111545 |
| Ionotropic glutamate receptor NMDA 1/2D | Ki | = | 90.0 | nM | 7.05 | Antagonist activity rat recombinant GluN1/GluN2D receptor expressed in Xenopus l... | 22111545 |
| Glutamate NMDA receptor; Grin1/Grin2a | Ki | = | 210.0 | nM | 6.68 | Antagonist activity at rat recombinant GluN1/GluN2A receptor expressed in Xenopu... | 22111545 |
| Glutamate NMDA receptor; Grin1/Grin2b | Ki | = | 220.0 | nM | 6.66 | Antagonist activity rat recombinant GluN1/GluN2B receptor expressed in Xenopus l... | 22111545 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22111545 | 10.1021/jm201230z | Ionotropic glutamate receptor NMDA 1/2D | 1 |
| 22111545 | 10.1021/jm201230z | Glutamate NMDA receptor; Grin1/Grin2c | 1 |
| 22111545 | 10.1021/jm201230z | Glutamate NMDA receptor; Grin1/Grin2b | 1 |
| 22111545 | 10.1021/jm201230z | Glutamate NMDA receptor; Grin1/Grin2a | 1 |
| 22111545 | 10.1021/jm201230z | Glutamate receptor ionotropic, kainate 1 | 1 |
| 22111545 | 10.1021/jm201230z | Glutamate receptor ionotropic, kainate 2 | 1 |
| 22111545 | 10.1021/jm201230z | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine