Compound Detail
CHEMBL5753520
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O=CO[C@@H](CNC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)CCCNC(=O)c1ccc(C2=CCCCC2)cc1F
Basic Information
| ChEMBL ID | CHEMBL5753520 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFSQPFOXJSSUQF-UNMCSNQZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
564.6
MW (Da)
1.53
ALogP
7
HBA
6
HBD
200.2
PSA (Ų)
0.10
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | Ki | 10.0 | 10.0 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | Ki | = | 0.1 | nM | 10.0 | Fluorescence-Based Amplex Red Glutamic Acid Assay : The PSMA inhibitory activity... | - |
Data from ChEMBL 36 via Core Engine