Compound Detail
CHEMBL209403
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c1ccc2cc(CN(CCCCNCCCN(Cc3ccc4ccccc4c3)Cc3cccc4ccccc34)Cc3cccc4ccccc34)ccc2c1
Basic Information
| ChEMBL ID | CHEMBL209403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMSKNYGTYLJUGX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
706.0
MW (Da)
11.76
ALogP
3
HBA
1
HBD
18.5
PSA (Ų)
0.10
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 4.84 | 4.84 | 14300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 14300.0 | nM | 4.84 | Inhibition of [3H]MK-801 binding to rat NMDA receptor | 16563762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16563762 | 10.1016/j.bmcl.2006.03.015 | Glutamate NMDA receptor | 2 |
Data from ChEMBL 36 via Core Engine