Compound Detail
CHEMBL450025
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Basic Information
| ChEMBL ID | CHEMBL450025 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCBIIKVSAMNGMO-RORPDPNFSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
199.2
MW (Da)
0.04
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 4.54 | 4.54 | 29000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 29000.0 | nM | 4.54 | Displacement of [3H]CGP39653 from NMDA receptor in rat brain membranes | 19042134 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19042134 | 10.1016/j.bmc.2008.11.015 | Glutamate NMDA receptor | 3 |
| 19042134 | 10.1016/j.bmc.2008.11.015 | Unchecked | 3 |
| 19042134 | 10.1016/j.bmc.2008.11.015 | Metabotropic glutamate receptor 5 | 1 |
| 19042134 | 10.1016/j.bmc.2008.11.015 | Metabotropic glutamate receptor 1 | 1 |
| 19042134 | 10.1016/j.bmc.2008.11.015 | Metabotropic glutamate receptor 2 | 1 |
| 19042134 | 10.1016/j.bmc.2008.11.015 | Metabotropic glutamate receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine