Compound Detail
CHEMBL3799878
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Basic Information
| ChEMBL ID | CHEMBL3799878 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQALNDKGODGXJT-WCBMZHEXSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
413.8
MW (Da)
3.61
ALogP
7
HBA
0
HBD
76.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; GRIN1/GRIN2A CHEMBL1907604 | EC50 | 7.53 | 7.525 | 29.5 | 2 |
| Glutamate receptor 2 CHEMBL4016 | EC50 | 7.14 | 6.6475 | 73.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; GRIN1/GRIN2A | EC50 | = | 29.5 | nM | 7.53 | Positive allosteric modulation of GluN1/GluN2A NMDAR (unknown origin) expressed ... | 26919761 |
| Glutamate NMDA receptor; GRIN1/GRIN2A | EC50 | = | 30.0 | nM | 7.52 | Positive allosteric modulation of GluN1/GluN2A receptor (unknown origin) express... | 28105280 |
| Glutamate receptor 2 | EC50 | = | 73.0 | nM | 7.14 | Positive allosteric modulation of human GluA2 AMPAR flop isomer expressed in Dox... | 26919761 |
| Glutamate receptor 2 | EC50 | = | 73.0 | nM | 7.14 | Positive allosteric modulation of human GluA2 receptor flop isoform assessed as ... | 28105280 |
| Glutamate receptor 2 | EC50 | = | 700.0 | nM | 6.16 | Positive allosteric modulation of human GluA2 receptor flip isoform assessed as ... | 28105280 |
| Glutamate receptor 2 | EC50 | = | 702.0 | nM | 6.15 | Positive allosteric modulation of human GluA2 AMPAR flip isomer expressed in Dox... | 26919761 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26919761 | 10.1021/acs.jmedchem.5b02010 | Glutamate receptor 2 | 4 |
| 28105280 | 10.1021/acsmedchemlett.6b00388 | Glutamate receptor 2 | 4 |
| 26919761 | 10.1021/acs.jmedchem.5b02010 | Glutamate NMDA receptor; GRIN1/GRIN2A | 2 |
| 28105280 | 10.1021/acsmedchemlett.6b00388 | Glutamate NMDA receptor; GRIN1/GRIN2A | 2 |
| 26919761 | 10.1021/acs.jmedchem.5b02010 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine