Compound Detail
CHEMBL4294561
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Basic Information
| ChEMBL ID | CHEMBL4294561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVSBTRVDVBPUOS-WIYYLYMNSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
3.66
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.8
IC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Glutamate receptor ionotropic, NMDA 2B CHEMBL1904 | Ki | 7.8 | 7.8 | 16.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 12.0 | nM | 7.92 | Cytoprotection against glutamate/glycine-induced cytotoxicity against mouse LTK ... | 31648876 |
| Glutamate receptor ionotropic, NMDA 2B | Ki | = | 16.0 | nM | 7.8 | Displacement of [3H]Ifenprodil from GluN2B receptor (unknown origin) expressed i... | 29289890 |
| Unchecked | Ki | = | 16.0 | nM | 7.8 | Displacement of [3H]ifenprodil from GluN1A/GluN2B (unknown origin) expressed in ... | 31648876 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31648876 | 10.1016/j.bmc.2019.115146 | Unchecked | 2 |
| 29289890 | 10.1016/j.ejmech.2017.12.054 | Glutamate receptor ionotropic, NMDA 2B | 1 |
Data from ChEMBL 36 via Core Engine