Compound Detail
CHEMBL6056337
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CN(C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](CCCCNC(=O)c1ccc(N=[N+]=[N-])cc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL6056337 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPCKILHYCXXXMT-GJZGRUSLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
478.5
MW (Da)
1.94
ALogP
6
HBA
5
HBD
222.1
PSA (Ų)
0.11
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | Ki | 7.9 | 7.9 | 12.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | Ki | = | 12.5 | nM | 7.9 | Enzymatic Assay for In Vitro Evaluation of PSMA Inhibitors: The inhibitory activ... | - |
Data from ChEMBL 36 via Core Engine