Compound Detail
CHEMBL5171260
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[N-]=[N+]=NCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc1ccc(Cl)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL5171260 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMOKNYDHONCYNU-LETRWZBTSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1051.6
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | IC50 | 6.53 | 6.53 | 294.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | IC50 | = | 294.0 | nM | 6.53 | Inhibition of PSMA derived from human LNCaP cell lysate assessed as inhibition o... | 33822606 |
| Glutamate carboxypeptidase 2 | IC50 | = | 294.0 | nM | 6.53 | Inhibition of GCPII (unknown origin) | 34717125 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
| 34717125 | 10.1016/j.ejmech.2021.113936 | Glutamate carboxypeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine