Compound Detail
CHEMBL183457
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Basic Information
| ChEMBL ID | CHEMBL183457 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBFDILCUSXICJX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
3.42
ALogP
5
HBA
2
HBD
82.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; GRIN1/GRIN2B CHEMBL1907603 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Glutamate [NMDA] receptor CHEMBL2094124 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; GRIN1/GRIN2B | IC50 | = | 9.0 | nM | 8.05 | Inhibition of NMDA-evoked increased intracellular [Ca2+] in cells expressing NR1... | 15225705 |
| Glutamate [NMDA] receptor | IC50 | = | 17.0 | nM | 7.77 | Inhibition of [3H]-Ro-25-6981 binding to NMDA receptor | 15225705 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15225705 | 10.1016/j.bmcl.2004.05.053 | Glutamate [NMDA] receptor | 1 |
| 15225705 | 10.1016/j.bmcl.2004.05.053 | Glutamate NMDA receptor; GRIN1/GRIN2B | 1 |
| 15225705 | 10.1016/j.bmcl.2004.05.053 | Glutamate NMDA receptor; GRIN1/GRIN2A | 1 |
| 15225705 | 10.1016/j.bmcl.2004.05.053 | Mus musculus | 1 |
| 21453995 | 10.1016/j.ejmech.2011.03.013 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine