Compound Detail
CHEMBL5778856
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=CO[C@H](CCCCNC(=O)c1ccc(-c2ccc(OCCF)cc2)cc1)OC(=O)N[C@@H](CCC(=O)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5778856 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXGBUHGFIAJPRD-UPVQGACJSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
562.5
MW (Da)
3.15
ALogP
8
HBA
4
HBD
177.6
PSA (Ų)
0.12
QED
1
Ro5 Violations
18
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.92
Ki 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | Ki | 7.66 | 7.66 | 22.0 | 1 |
| Glutamate carboxypeptidase 2 CHEMBL1892 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | Ki | = | 22.0 | nM | 7.66 | Fluorescence-Based Amplex Red Glutamic Acid Assay : The PSMA inhibitory activity... | - |
| Glutamate carboxypeptidase 2 | IC50 | = | 120.0 | nM | 6.92 | Fluorescence-Based Amplex Red Glutamic Acid Assay : The PSMA inhibitory activity... | - |
Data from ChEMBL 36 via Core Engine