Compound Detail
CHEMBL277411
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Basic Information
| ChEMBL ID | CHEMBL277411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQFHADLRVPFAGQ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
281.7
MW (Da)
2.63
ALogP
3
HBA
2
HBD
79.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.2
Ki 1 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 6.17 | 6.17 | 680.0 | 1 |
| Glutamate receptor ionotropic, NMDA 2C CHEMBL401 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 630.0 | nM | 6.2 | In vitro inhibition of [3H]glycine at NMDA receptor | 7990104 |
| Glutamate NMDA receptor | Ki | = | 680.0 | nM | 6.17 | Inhibition of strychnine-insensitive [3H]glycine binding to the N-methyl-D-aspar... | 1849994 |
| Glutamate receptor ionotropic, NMDA 2C | IC50 | = | 1600.0 | nM | 5.8 | Compound was evaluated for in vitro inhibition of oocytes at NMDA receptor | 7990104 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7990104 | 10.1021/jm00050a001 | Glutamate NMDA receptor | 1 |
| 7990104 | 10.1021/jm00050a001 | Glutamate receptor ionotropic, NMDA 2C | 1 |
| 7990104 | 10.1021/jm00050a001 | Unchecked | 1 |
| 1849994 | 10.1021/jm00108a007 | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine