Compound Detail
CHEMBL64901
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Basic Information
| ChEMBL ID | CHEMBL64901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVAHMQCUSNJPRX-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
390.2
MW (Da)
2.72
ALogP
3
HBA
3
HBD
111.9
PSA (Ų)
0.27
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.09
EC50 2 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | EC50 | 8.02 | 8.02 | 9.5 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 8.02 | 8.02 | 9.5 | 1 |
| Glutamate carboxypeptidase 2 CHEMBL1892 | IC50 | 7.09 | 7.09 | 82.0 | 1 |
| Glutamate carboxypeptidase 2 CHEMBL5098 | IC50 | 7.09 | 7.09 | 82.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.09 | 7.09 | 82.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | EC50 | = | 9.5 | nM | 8.02 | Concentration required for the neuroprotective effect determined by inhibition o... | 12798312 |
| Rattus norvegicus | EC50 | = | 9.5 | nM | 8.02 | Neuroprotective effect against ischemic injury with median effective concentrati... | 15801825 |
| Glutamate carboxypeptidase 2 | IC50 | = | 82.0 | nM | 7.09 | Inhibition of Glutamate carboxypeptidase II | 12798312 |
| Glutamate carboxypeptidase 2 | IC50 | = | 82.0 | nM | 7.09 | Inhibitory concentration against rat brain NAALADase (Folate hydrolase) | 11708918 |
| Unchecked | IC50 | = | 82.0 | nM | 7.09 | In vitro inhibition of N-acetyl-L-aspartyl-[3H]L-glutamate binding to Glutamate ... | 15801825 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12798312 | 10.1016/s0960-894x(03)00407-4 | Glutamate carboxypeptidase 2 | 2 |
| 11708918 | 10.1021/jm0001774 | Glutamate carboxypeptidase 2 | 1 |
| 15801825 | 10.1021/jm049258g | Unchecked | 1 |
| 15801825 | 10.1021/jm049258g | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine