Compound Detail
CHEMBL46005
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Basic Information
| ChEMBL ID | CHEMBL46005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOAPXKSPJAZNGO-WDSKDSINSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
320.2
MW (Da)
-1.08
ALogP
5
HBA
6
HBD
190.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.1
IC50 3 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | Ki | 8.1 | 8.1 | 8.0 | 3 |
| N-acetylated-alpha-linked acidic dipeptidase 2 CHEMBL2609 | Ki | 8.1 | 8.1 | 8.0 | 1 |
| Glutamate carboxypeptidase 2 CHEMBL1892 | IC50 | 7.33 | 6.6 | 47.0 | 2 |
| Glutamate carboxypeptidase 2 CHEMBL5098 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-acetylated-alpha-linked acidic dipeptidase 2 | Ki | = | 8.0 | nM | 8.1 | In vitro inhibitory activity against human Glutamate carboxypeptidase II by usin... | 15027864 |
| Glutamate carboxypeptidase 2 | Ki | = | 8.0 | nM | 8.1 | Binding affinity to NAALADase | 23025786 |
| Glutamate carboxypeptidase 2 | Ki | = | 8.0 | nM | 8.1 | Binding affinity PSMA (unknown origin) | 25822623 |
| Glutamate carboxypeptidase 2 | Ki | = | 8.0 | nM | 8.1 | Inhibition of human GCPII expressed in CHO cells assessed as accumulation of glu... | 33865971 |
| Glutamate carboxypeptidase 2 | IC50 | = | 47.0 | nM | 7.33 | Inhibitory activity against expressed rat Glutamate carboxypeptidase II, using a... | 11462970 |
| Glutamate carboxypeptidase 2 | IC50 | = | 47.0 | nM | 7.33 | Inhibition of PSMA (unknown origin) | 25822623 |
| Glutamate carboxypeptidase 2 | IC50 | = | 1340.0 | nM | 5.87 | Inhibition of GCPII (unknown origin) expressed in DU-145 cells after 2 hrs by Am... | 33865971 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25822623 | 10.1021/jm5018384 | Glutamate carboxypeptidase 2 | 2 |
| 33865971 | 10.1016/j.bmcl.2021.128044 | Glutamate carboxypeptidase 2 | 2 |
| 33865971 | 10.1016/j.bmcl.2021.128044 | ADMET | 2 |
| 11462970 | 10.1021/jm000406m | Glutamate carboxypeptidase 2 | 1 |
| 15027864 | 10.1021/jm0306226 | N-acetylated-alpha-linked acidic dipeptidase 2 | 1 |
| 23025786 | 10.1021/jm300710j | Glutamate carboxypeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine