Compound Detail
CHEMBL191467
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Basic Information
| ChEMBL ID | CHEMBL191467 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISEYJGQFXSTPMQ-BYPYZUCNSA-N |
3
Targets
3
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
226.1
MW (Da)
-0.27
ALogP
3
HBA
4
HBD
132.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.16
IC50 1 meas. best 7.52
Ki 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | Ki | 7.52 | 7.52 | 30.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 7.16 | 7.16 | 70.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 30.0 | nM | 7.52 | In vitro inhibition of N-acetyl-L-aspartyl-[3H]L-glutamate binding to Glutamate ... | 15801825 |
| Glutamate carboxypeptidase 2 | Ki | = | 30.0 | nM | 7.52 | Binding affinity to NAALADase | 23025786 |
| Rattus norvegicus | EC50 | = | 70.0 | nM | 7.16 | Neuroprotective effect against ischemic injury with median effective concentrati... | 15801825 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 15801825 | 10.1021/jm049258g | Unchecked | 1 |
| 15801825 | 10.1021/jm049258g | Rattus norvegicus | 1 |
| 23025786 | 10.1021/jm300710j | Glutamate carboxypeptidase 2 | 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