Compound Detail
CHEMBL180365
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Basic Information
| ChEMBL ID | CHEMBL180365 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USURZSFXCSIVBV-YRNVUSSQSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
391.2
MW (Da)
4.38
ALogP
3
HBA
4
HBD
116.4
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 7.61 | 7.61 | 24.3 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.44 | 6.44 | 364.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 24.3 | nM | 7.61 | In vitro inhibitory concentration against binding of the [3H]glycine to strychni... | 15715469 |
| Rattus norvegicus | IC50 | = | 364.0 | nM | 6.44 | In vitro inhibitory concentration against glutamate stimulated accumulation of c... | 15715469 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15715469 | 10.1021/jm0491849 | Rattus norvegicus | 38 |
| 15715469 | 10.1021/jm0491849 | Mus musculus | 3 |
| 15715469 | 10.1021/jm0491849 | Glutamate NMDA receptor | 1 |
| 15715469 | 10.1021/jm0491849 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine