Compound Detail
CHEMBL103512
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
Basic Information
| ChEMBL ID | CHEMBL103512 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSSXJYWVWWFWMY-WHFBIAKZSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
294.3
MW (Da)
-1.01
ALogP
5
HBA
6
HBD
153.0
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.16
Ki 1 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL5098 | IC50 | 8.16 | 8.16 | 6.9 | 1 |
| Glutamate carboxypeptidase 2 CHEMBL1892 | Ki | 6.42 | 6.42 | 376.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | IC50 | = | 6.9 | nM | 8.16 | Inhibitory activity against expressed rat Glutamate carboxypeptidase II, using a... | 11462970 |
| Glutamate carboxypeptidase 2 | Ki | = | 376.0 | nM | 6.42 | Displacement of [123I]-DCIT from PSMA in human LNCaP cells after 1 hr by gamma c... | 24063417 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11462970 | 10.1021/jm000406m | Glutamate carboxypeptidase 2 | 1 |
| 24063417 | 10.1021/jm400895s | Glutamate carboxypeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine