Compound Detail
CHEMBL557993
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Basic Information
| ChEMBL ID | CHEMBL557993 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWJLHLNPQXOHKU-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1196725 |
| Active Moiety | CHEMBL1196725 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
396.2
MW (Da)
1.51
ALogP
9
HBA
5
HBD
192.1
PSA (Ų)
0.23
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate [NMDA] receptor CHEMBL2094124 | IC50 | 8.39 | 8.39 | 4.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate [NMDA] receptor | IC50 | = | 4.1 | nM | 8.39 | In vitro inhibitory activity at 1 uM concentration against N-methyl-D-aspartate ... | 11909726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11909726 | 10.1016/s0960-894x(02)00074-4 | Glutamate [NMDA] receptor | 1 |
| 11909726 | 10.1016/s0960-894x(02)00074-4 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine