Compound Detail
CHEMBL132183
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Basic Information
| ChEMBL ID | CHEMBL132183 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOQVDBCNWPUEPS-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
212.1
MW (Da)
-0.66
ALogP
3
HBA
4
HBD
132.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.16
IC50 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | Ki | 6.16 | 6.16 | 700.0 | 1 |
| Glutamate carboxypeptidase 2 CHEMBL5098 | Ki | 6.16 | 6.16 | 700.0 | 1 |
| Glutamate carboxypeptidase 2 CHEMBL5098 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | Ki | = | 700.0 | nM | 6.16 | Compound was tested for inhibition of the Folate hydrolase | 8558536 |
| Glutamate carboxypeptidase 2 | Ki | = | 700.0 | nM | 6.16 | Binding affinity to NAALADase | 23025786 |
| Glutamate carboxypeptidase 2 | IC50 | = | 2200.0 | nM | 5.66 | Inhibitory concentration against rat brain NAALADase (Folate hydrolase) | 11708918 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11708918 | 10.1021/jm0001774 | Glutamate carboxypeptidase 2 | 1 |
| 8558536 | 10.1021/jm950801q | Glutamate carboxypeptidase 2 | 1 |
| 23025786 | 10.1021/jm300710j | Glutamate carboxypeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine