Compound Detail
CHEMBL334737
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Basic Information
| ChEMBL ID | CHEMBL334737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAPJWNDJASACPZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
240.2
MW (Da)
0.12
ALogP
3
HBA
4
HBD
132.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | IC50 | 6.73 | 6.73 | 185.0 | 1 |
| Glutamate carboxypeptidase 2 CHEMBL5098 | IC50 | 6.73 | 6.73 | 185.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | IC50 | = | 185.0 | nM | 6.73 | Inhibitory concentration against rat brain NAALADase (Folate hydrolase) | 11708918 |
| Glutamate carboxypeptidase 2 | IC50 | = | 185.0 | nM | 6.73 | Binding affinity to NAALADase | 23025786 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11708918 | 10.1021/jm0001774 | Glutamate carboxypeptidase 2 | 1 |
| 23025786 | 10.1021/jm300710j | Glutamate carboxypeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine