Compound Detail
CHEMBL4068651
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Basic Information
| ChEMBL ID | CHEMBL4068651 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXAYZLNELKIUOC-QJVKKXMWSA-N |
| Parent Compound | CHEMBL4116731 |
| Active Moiety | CHEMBL4116731 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
314.1
MW (Da)
1.68
ALogP
3
HBA
3
HBD
86.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.22 | 6.215 | 602.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 602.56 | nM | 6.22 | Displacement of [3H]-CGP-39653 from NMDA receptor in Sprague-Dawley rat brain sy... | 29205034 |
| Unchecked | Ki | = | 620.0 | nM | 6.21 | Displacement of [3H]-CGP-39653 from NMDA receptor in Sprague-Dawley rat brain sy... | 29205034 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29205034 | 10.1021/acs.jmedchem.7b01624 | Unchecked | 4 |
| 29205034 | 10.1021/acs.jmedchem.7b01624 | Glutamate receptor ionotropic, kainate 1 | 1 |
| 29205034 | 10.1021/acs.jmedchem.7b01624 | Glutamate receptor ionotropic, kainate 2 | 1 |
| 29205034 | 10.1021/acs.jmedchem.7b01624 | Glutamate receptor ionotropic, kainate 3 | 1 |
Data from ChEMBL 36 via Core Engine