Compound Detail
CHEMBL5420877
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O=C(O)CC[C@H](NC(=O)N[C@@H](CCCNC(=O)c1ccc(F)cc1)C(=O)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5420877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPBAFTSMTMZWDK-STQMWFEESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
427.4
MW (Da)
0.41
ALogP
5
HBA
6
HBD
182.1
PSA (Ų)
0.26
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | Ki | 9.07 | 9.07 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | Ki | = | 0.86 | nM | 9.07 | Binding affinity to human recombinant PSMA (unknown origin) assessed as inhibiti... | 37161996 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37161996 | 10.1021/acs.jmedchem.3c00309 | Glutamate carboxypeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine