Compound Detail
CHEMBL2009741
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Basic Information
| ChEMBL ID | CHEMBL2009741 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAITZYGVAGMXMV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
582.9
MW (Da)
7.22
ALogP
6
HBA
4
HBD
66.6
PSA (Ų)
0.08
QED
2
Ro5 Violations
29
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; GRIN1/GRIN2A CHEMBL1907604 | IC50 | 7.05 | 7.05 | 89.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; GRIN1/GRIN2A | IC50 | = | 89.3 | nM | 7.05 | Antagonist activity at recombinant GluN1/GluN2A receptor (unknown origin) expres... | 23692871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23692871 | 10.1016/j.bmcl.2013.04.063 | Mus musculus | 1 |
| 23692871 | 10.1016/j.bmcl.2013.04.063 | Glutamate NMDA receptor; GRIN1/GRIN2A | 1 |
Data from ChEMBL 36 via Core Engine