Compound Detail
CHEMBL2177511
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=C(N[C@@H](C[C@@H](Cc1ccccc1)C(=O)O)C(=O)O)N[C@@H](C[C@@H](Cc1ccccc1)C(=O)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2177511 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDEPYJBVWCWBDM-ZRNYENFQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
500.5
MW (Da)
1.86
ALogP
5
HBA
6
HBD
190.3
PSA (Ų)
0.22
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | Ki | 6.41 | 6.41 | 392.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | Ki | = | 392.0 | nM | 6.41 | Binding affinity to NAALADase | 23025786 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23025786 | 10.1021/jm300710j | Glutamate carboxypeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine