Compound Detail
CHEMBL419045
GAVESTINEL SODIUM Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL419045 |
| Name | GAVESTINEL SODIUM |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRSDSTMFQHAESM-UHDJGPCESA-M |
| Parent Compound | CHEMBL44793 |
| Active Moiety | CHEMBL44793 |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
375.2
MW (Da)
4.82
ALogP
2
HBA
3
HBD
82.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.82
Ki 2 meas. best 8.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | Ki | 8.5 | 8.5 | 3.2 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 8.49 | 8.49 | 3.2 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 7.82 | 7.82 | 15.2 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.58 | 6.58 | 262.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 | Ki | = | 3.162 | nM | 8.5 | Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-... | 9083472 |
| Glutamate NMDA receptor | Ki | = | 3.236 | nM | 8.49 | Inhibition of [3H]glycine binding to N-methyl-D-aspartate glutamate receptor in ... | 10479281 |
| Glutamate NMDA receptor | IC50 | = | 15.2 | nM | 7.82 | In vitro inhibitory concentration against binding of the [3H]glycine to strychni... | 15715469 |
| Rattus norvegicus | IC50 | = | 262.0 | nM | 6.58 | In vitro inhibitory concentration against glutamate stimulated accumulation of c... | 15715469 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15715469 | 10.1021/jm0491849 | Rattus norvegicus | 6 |
| 15715469 | 10.1021/jm0491849 | Mus musculus | 3 |
| 9083472 | 10.1021/jm960644a | Glutamate receptor ionotropic, NMDA 1 | 2 |
| 9083472 | 10.1021/jm960644a | Mus musculus | 2 |
| 10479281 | 10.1021/jm980576n | Mus musculus | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 10479281 | 10.1021/jm980576n | Glutamate NMDA receptor | 1 |
| 10479281 | 10.1021/jm980576n | Albumin | 1 |
| 15715469 | 10.1021/jm0491849 | Glutamate NMDA receptor | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine