Compound Detail
CHEMBL1852874
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CC(C)NC(=N)c1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(C(=N)NC(C)C)cc3)n2)cc1
Basic Information
| ChEMBL ID | CHEMBL1852874 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKTYJKABMQWMSK-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
485.6
MW (Da)
4.23
ALogP
5
HBA
6
HBD
142.8
PSA (Ų)
0.21
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.16 | 4.5333 | 6940.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 6940.0 | nM | 5.16 | Displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor by beta co... | 26117647 |
| Glutamate NMDA receptor | IC50 | = | 49400.0 | nM | 4.31 | Displacement of [3H]-ifenprodil from rat cortical membranes NMDA receptor by bet... | 26117647 |
| Glutamate NMDA receptor | IC50 | = | 74900.0 | nM | 4.13 | Displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor by beta co... | 26117647 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26117647 | 10.1016/j.bmc.2015.06.012 | Glutamate NMDA receptor | 4 |
Data from ChEMBL 36 via Core Engine