Compound Detail
CHEMBL5203501
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COc1ccc(CN(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)CCCCCNC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCN=[N+]=[N-])cc1
Basic Information
| ChEMBL ID | CHEMBL5203501 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPORHAUKMJYTMM-IWWWZYECSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1029.2
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | IC50 | 6.95 | 6.95 | 112.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | IC50 | = | 112.0 | nM | 6.95 | Inhibition of PSMA in human LNCaP cell extracts using NAAG as substrate by ample... | 35661685 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35661685 | 10.1016/j.bmcl.2022.128840 | Glutamate carboxypeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine