Compound Detail
CHEMBL3983039
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Basic Information
| ChEMBL ID | CHEMBL3983039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXLJMGCNGCDJTO-CMPLNLGQSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
407.8
MW (Da)
3.55
ALogP
6
HBA
0
HBD
76.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; GRIN1/GRIN2A CHEMBL1907604 | EC50 | 7.39 | 7.25 | 41.0 | 2 |
| Glutamate receptor 2 CHEMBL4016 | EC50 | 4.51 | 4.34 | 31000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; GRIN1/GRIN2A | EC50 | = | 41.0 | nM | 7.39 | Positive allosteric modulation of GluN1/GluN2A receptor (unknown origin) express... | 28105280 |
| Glutamate NMDA receptor; GRIN1/GRIN2A | EC50 | = | 77.0 | nM | 7.11 | TBD: TBD | - |
| Glutamate receptor 2 | EC50 | = | 31000.0 | nM | 4.51 | Positive allosteric modulation of human GluA2 receptor flop isoform assessed as ... | 28105280 |
| Glutamate receptor 2 | EC50 | = | 67000.0 | nM | 4.17 | Positive allosteric modulation of human GluA2 receptor flip isoform assessed as ... | 28105280 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28105280 | 10.1021/acsmedchemlett.6b00388 | Glutamate receptor 2 | 4 |
| 28105280 | 10.1021/acsmedchemlett.6b00388 | Glutamate NMDA receptor; GRIN1/GRIN2A | 2 |
| 28105280 | 10.1021/acsmedchemlett.6b00388 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine