Compound Detail
CHEMBL219634
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Basic Information
| ChEMBL ID | CHEMBL219634 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOZSYJQUWROAKM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
3.36
ALogP
3
HBA
2
HBD
69.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 8.66 | 8.66 | 2.2 | 2 |
| Glutamate receptor ionotropic, NMDA 2B CHEMBL311 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 2.2 | nM | 8.66 | Inhibition of NMDA-evoked increase in intracellular calcium ion in rat cortical ... | 16782335 |
| Glutamate NMDA receptor | IC50 | = | 2.2 | nM | 8.66 | Inhibition of NMDA receptor in rat cortical cells assessed as NMDA-evoked increa... | 17074483 |
| Glutamate receptor ionotropic, NMDA 2B | IC50 | = | 4.0 | nM | 8.4 | Displacement of [3H]Ro25-6981 from NR2B NMDA receptor in rat forebrain membrane | 16782335 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16782335 | 10.1016/j.bmcl.2006.06.002 | Glutamate receptor ionotropic, NMDA 2B | 1 |
| 16782335 | 10.1016/j.bmcl.2006.06.002 | Glutamate NMDA receptor | 1 |
| 16782335 | 10.1016/j.bmcl.2006.06.002 | Mus musculus | 1 |
| 16782335 | 10.1016/j.bmcl.2006.06.002 | Glutamate NMDA receptor; GRIN1/GRIN2A | 1 |
| 16782335 | 10.1016/j.bmcl.2006.06.002 | Unchecked | 1 |
| 17074483 | 10.1016/j.bmcl.2006.10.033 | Glutamate NMDA receptor | 1 |
| 17074483 | 10.1016/j.bmcl.2006.10.033 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine