Compound Detail
CHEMBL3800605
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Basic Information
| ChEMBL ID | CHEMBL3800605 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEYYRHMGNJNJEA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
412.4
MW (Da)
3.91
ALogP
5
HBA
1
HBD
54.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor 2 CHEMBL4016 | EC50 | 6.45 | 6.11 | 359.0 | 2 |
| Glutamate NMDA receptor; GRIN1/GRIN2A CHEMBL1907604 | EC50 | 6.34 | 6.34 | 454.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor 2 | EC50 | = | 359.0 | nM | 6.45 | Positive allosteric modulation of human GluA2 AMPAR flop isomer expressed in Dox... | 26919761 |
| Glutamate NMDA receptor; GRIN1/GRIN2A | EC50 | = | 454.0 | nM | 6.34 | Positive allosteric modulation of GluN1/GluN2A NMDAR (unknown origin) expressed ... | 26919761 |
| Glutamate receptor 2 | EC50 | = | 1700.0 | nM | 5.77 | 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 |
| 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