Compound Detail
CHEMBL553701
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Basic Information
| ChEMBL ID | CHEMBL553701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGZNQMDBYVQWTR-JRIXXDKMSA-N |
1
Targets
3
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
145.2
MW (Da)
-0.66
ALogP
3
HBA
3
HBD
83.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.03
IC50 1 meas. best 6.12
Ki 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 6.6 | 6.6 | 251.2 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | EC50 | 6.03 | 6.03 | 930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 251.19 | nM | 6.6 | Displacement of [3H]glycine from strychnine-insensitive glycine recognition site... | 19642674 |
| Glutamate NMDA receptor | IC50 | = | 750.0 | nM | 6.12 | In vitro inhibition of [3H]glycine at NMDA receptor | 7990104 |
| Glutamate NMDA receptor | EC50 | = | 930.0 | nM | 6.03 | Compound was evaluated for in vitro inhibition of [3H]MK-801 at NMDA receptor | 7990104 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7990104 | 10.1021/jm00050a001 | Glutamate NMDA receptor | 2 |
| 19642674 | 10.1021/jm900363q | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine