Compound Detail
CHEMBL189217
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Basic Information
| ChEMBL ID | CHEMBL189217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISEYJGQFXSTPMQ-SCSAIBSYSA-N |
3
Targets
6
Activities
3
Assay Types
0
PK Parameters
5
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
IC50 3 meas. best 10.0
Ki 2 meas. best 10.0
EC50 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | Ki | 10.0 | 9.76 | 0.1 | 2 |
| Unchecked CHEMBL612545 | IC50 | 10.0 | 10.0 | 0.1 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 9.7 | 9.7 | 0.2 | 1 |
| Glutamate carboxypeptidase 2 CHEMBL1892 | IC50 | 7.1 | 7.065 | 80.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.1 | nM | 10.0 | In vitro inhibition of N-acetyl-L-aspartyl-[3H]L-glutamate binding to Glutamate ... | 15801825 |
| Glutamate carboxypeptidase 2 | Ki | = | 0.1 | nM | 10.0 | Binding affinity to NAALADase | 23025786 |
| Rattus norvegicus | EC50 | = | 0.2 | nM | 9.7 | Neuroprotective effect against ischemic injury with median effective concentrati... | 15801825 |
| Glutamate carboxypeptidase 2 | Ki | = | 0.3 | nM | 9.52 | Inhibition of GCPII (unknown origin) NAALADase activity | 33865971 |
| Glutamate carboxypeptidase 2 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of PSMA in human LNCaP cell extracts using NAAG as substrate by ample... | 35661685 |
| Glutamate carboxypeptidase 2 | IC50 | = | 94.0 | nM | 7.03 | Inhibition of GCPII (unknown origin) expressed in DU-145 cells after 2 hrs by Am... | 33865971 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33865971 | 10.1016/j.bmcl.2021.128044 | Glutamate carboxypeptidase 2 | 2 |
| 15801825 | 10.1021/jm049258g | Unchecked | 1 |
| 15801825 | 10.1021/jm049258g | Rattus norvegicus | 1 |
| 23025786 | 10.1021/jm300710j | Glutamate carboxypeptidase 2 | 1 |
| 35661685 | 10.1016/j.bmcl.2022.128840 | Glutamate carboxypeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine