Compound Detail
CHEMBL4544421
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Basic Information
| ChEMBL ID | CHEMBL4544421 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GREQUCSPWQUZPQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
378.5
MW (Da)
5.10
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.63
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2D CHEMBL2591 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Glutamate receptor ionotropic, NMDA 2C CHEMBL4109 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2D | IC50 | = | 1400.0 | nM | 5.85 | Negative allosteric modulation of GluN2D receptor (unknown origin) expressed in ... | 29446949 |
| Glutamate receptor ionotropic, NMDA 2C | IC50 | = | 2600.0 | nM | 5.58 | Negative allosteric modulation of GluN2C receptor (unknown origin) expressed in ... | 29446949 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29446949 | 10.1021/acs.jmedchem.7b01640 | Unchecked | 4 |
| 29446949 | 10.1021/acs.jmedchem.7b01640 | Glutamate receptor ionotropic, NMDA 2C | 1 |
| 29446949 | 10.1021/acs.jmedchem.7b01640 | Glutamate receptor ionotropic, NMDA 2D | 1 |
Data from ChEMBL 36 via Core Engine