Compound Detail
CHEMBL356281
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Basic Information
| ChEMBL ID | CHEMBL356281 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPZMPJXQGUTTFQ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
394.2
MW (Da)
2.72
ALogP
6
HBA
3
HBD
95.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate [NMDA] receptor CHEMBL2094124 | IC50 | 8.0 | 6.475 | 10.0 | 2 |
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 4.95 | 4.95 | 11300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 10.0 | nM | 8.0 | In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-s... | 9871605 |
| Glutamate [NMDA] receptor | IC50 | = | 10.0 | nM | 8.0 | Displacement of [3H]MDL from NMDA receptor (unknown origin) | 34998058 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 11300.0 | nM | 4.95 | In vitro binding assay for the displacement of [3H]AMPA from AMPA receptor | 9871605 |
| Glutamate [NMDA] receptor | IC50 | = | 11300.0 | nM | 4.95 | Displacement of [3H]AMPA from NMDA receptor (unknown origin) | 34998058 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34998058 | 10.1016/j.ejmech.2021.114085 | Glutamate [NMDA] receptor | 2 |
| 9871605 | 10.1016/s0960-894x(98)00055-9 | Glutamate receptor ionotropic, AMPA | 1 |
| 9871605 | 10.1016/s0960-894x(98)00055-9 | Glutamate receptor ionotropic, NMDA 1 | 1 |
Data from ChEMBL 36 via Core Engine