Compound Detail
CHEMBL161406
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NCc1ccc(NC(=O)C[C@@H]2CCc3cc(Cl)cc4[nH]c(C(=O)O)c2c34)c(OCC(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL161406 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHFPCCAKVFLVPR-ZDUSSCGKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
471.9
MW (Da)
3.50
ALogP
5
HBA
5
HBD
154.7
PSA (Ų)
0.34
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | IC50 | 8.92 | 8.2 | 1.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 1.2 | nM | 8.92 | Affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined ... | 12593650 |
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 33.0 | nM | 7.48 | Affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined ... | 12593650 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12593650 | 10.1021/jm020239l | Mus musculus | 3 |
| 12593650 | 10.1021/jm020239l | Glutamate receptor ionotropic, NMDA 1 | 2 |
Data from ChEMBL 36 via Core Engine