Compound Detail
CHEMBL458202
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Basic Information
| ChEMBL ID | CHEMBL458202 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZASEPMMGWJWOV-YUMQZZPRSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
319.3
MW (Da)
-0.81
ALogP
5
HBA
6
HBD
179.1
PSA (Ų)
0.27
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.3
Ki 1 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | Ki | 7.35 | 7.35 | 44.3 | 1 |
| Glutamate carboxypeptidase 2 CHEMBL1892 | IC50 | 6.3 | 6.182 | 498.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | Ki | = | 44.3 | nM | 7.35 | Inhibition of human recombinant N-terminal Avi-tagged glutamate carboxypeptidase... | 24954515 |
| Glutamate carboxypeptidase 2 | IC50 | = | 498.0 | nM | 6.3 | Inhibition of [131I]DCIT from PSMA in human LNCAP cells | 19111054 |
| Glutamate carboxypeptidase 2 | IC50 | = | 547.0 | nM | 6.26 | Inhibition of PSMA derived from human LNCaP cell lysate assessed as inhibition o... | 33822606 |
| Glutamate carboxypeptidase 2 | IC50 | = | 547.0 | nM | 6.26 | Inhibition of PSMA in human LNCaP cell extracts using NAAG as substrate by ample... | 35661685 |
| Glutamate carboxypeptidase 2 | IC50 | = | 547.0 | nM | 6.26 | Inhibition of GCPII (unknown origin) | 34717125 |
| Glutamate carboxypeptidase 2 | IC50 | = | 1470.0 | nM | 5.83 | Inhibition of PSMA in human LNCAP cells using NAAG as substrate measured after 2... | 31248772 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19111054 | 10.1021/jm800994j | Glutamate carboxypeptidase 2 | 1 |
| 24954515 | 10.1016/j.bmc.2014.05.061 | Glutamate carboxypeptidase 2 | 1 |
| 31248772 | 10.1016/j.bmcl.2019.06.035 | WI-38 VA13 | 1 |
| 31248772 | 10.1016/j.bmcl.2019.06.035 | Glutamate carboxypeptidase 2 | 1 |
| 33822606 | 10.1021/acs.jmedchem.0c01935 | HEK-293T | 1 |
| 33822606 | 10.1021/acs.jmedchem.0c01935 | Glutamate carboxypeptidase 2 | 1 |
| 33822606 | 10.1021/acs.jmedchem.0c01935 | WI-38 VA13 | 1 |
| 33822606 | 10.1021/acs.jmedchem.0c01935 | MCF7 | 1 |
| 33822606 | 10.1021/acs.jmedchem.0c01935 | A549 | 1 |
| 35661685 | 10.1016/j.bmcl.2022.128840 | Glutamate carboxypeptidase 2 | 1 |
| 34717125 | 10.1016/j.ejmech.2021.113936 | Glutamate carboxypeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine