Compound Detail
CHEMBL350974
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
NCc1ccc(NC(=O)C[C@@H]2CCc3cc(Cl)cc4[nH]c(C(=O)O)c2c34)c(CC(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL350974 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEFCEOQWXAGOBM-ZDUSSCGKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
455.9
MW (Da)
3.66
ALogP
4
HBA
5
HBD
145.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 1.5 | nM | 8.82 | 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 | 2 |
| 12593650 | 10.1021/jm020239l | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 12593650 | 10.1021/jm020239l | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine