Compound Detail
CHEMBL5872050
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CSc1ccc(C(=O)NCCCC(=O)N[C@H](CNC(=O)N[C@@H](CCC(=O)O)C(=O)O)OC=O)cc1
Basic Information
| ChEMBL ID | CHEMBL5872050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMZPLUNZVGCTTK-RDJZCZTQSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
512.5
MW (Da)
0.15
ALogP
8
HBA
6
HBD
200.2
PSA (Ų)
0.08
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.89
Ki 1 meas. best 9.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | Ki | 9.59 | 9.59 | 0.3 | 1 |
| Glutamate carboxypeptidase 2 CHEMBL1892 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | Ki | = | 0.26 | nM | 9.59 | Fluorescence-Based Amplex Red Glutamic Acid Assay : The PSMA inhibitory activity... | - |
| Glutamate carboxypeptidase 2 | IC50 | = | 1.3 | nM | 8.89 | Fluorescence-Based Amplex Red Glutamic Acid Assay : The PSMA inhibitory activity... | - |
Data from ChEMBL 36 via Core Engine