Compound Detail
CHEMBL2177509
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Basic Information
| ChEMBL ID | CHEMBL2177509 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJIJEWUUIKDXIM-QWWZWVQMSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
244.1
MW (Da)
-0.32
ALogP
3
HBA
4
HBD
132.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.09
Ki 1 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | Ki | 8.51 | 8.51 | 3.1 | 1 |
| Glutamate carboxypeptidase 2 CHEMBL1892 | IC50 | 8.09 | 8.09 | 8.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | Ki | = | 3.1 | nM | 8.51 | Inhibition of NAALADase activity in human LNCaP cell membranes assessed as inhib... | 23025786 |
| Glutamate carboxypeptidase 2 | IC50 | = | 8.1 | nM | 8.09 | Inhibition of NAALADase activity in human LNCaP cell membranes assessed as inhib... | 23025786 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23025786 | 10.1021/jm300710j | Glutamate carboxypeptidase 2 | 2 |
Data from ChEMBL 36 via Core Engine