Compound Detail
CHEMBL5868544
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Basic Information
| ChEMBL ID | CHEMBL5868544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKFIIANQQSZFFS-NWDGAFQWSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
399.3
MW (Da)
-0.33
ALogP
6
HBA
5
HBD
171.1
PSA (Ų)
0.25
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.37
Ki 1 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | Ki | 8.01 | 8.01 | 9.7 | 1 |
| Glutamate carboxypeptidase 2 CHEMBL1892 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | Ki | = | 9.7 | nM | 8.01 | Fluorescence-Based Amplex Red Glutamic Acid Assay : The PSMA inhibitory activity... | - |
| Glutamate carboxypeptidase 2 | IC50 | = | 43000.0 | nM | 4.37 | Fluorescence-Based Amplex Red Glutamic Acid Assay : The PSMA inhibitory activity... | - |
Data from ChEMBL 36 via Core Engine