Compound Detail
CHEMBL3799162
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Basic Information
| ChEMBL ID | CHEMBL3799162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OAABRTSOIPXXHO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
2.28
ALogP
6
HBA
1
HBD
87.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor 2 CHEMBL4016 | EC50 | 4.48 | 4.375 | 32900.0 | 2 |
| Glutamate NMDA receptor; GRIN1/GRIN2A CHEMBL1907604 | EC50 | 4.21 | 4.21 | 62200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor 2 | EC50 | = | 32900.0 | nM | 4.48 | Positive allosteric modulation of human GluA2 AMPAR flip isomer expressed in Dox... | 26919761 |
| Glutamate receptor 2 | EC50 | = | 53700.0 | nM | 4.27 | Positive allosteric modulation of human GluA2 AMPAR flop isomer expressed in Dox... | 26919761 |
| Glutamate NMDA receptor; GRIN1/GRIN2A | EC50 | = | 62200.0 | nM | 4.21 | Positive allosteric modulation of GluN1/GluN2A NMDAR (unknown origin) expressed ... | 26919761 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26919761 | 10.1021/acs.jmedchem.5b02010 | Glutamate receptor 2 | 4 |
| 26919761 | 10.1021/acs.jmedchem.5b02010 | Glutamate NMDA receptor; GRIN1/GRIN2A | 2 |
| 26919761 | 10.1021/acs.jmedchem.5b02010 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine