Compound Detail
CHEMBL2114987
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
C[C@@H](C[C@H](NC(=O)N[C@@H](C[C@H](C)C(=O)O)C(=O)O)C(=O)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2114987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQSFUWWZMNQGGW-XAMCCFCMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
348.3
MW (Da)
-0.59
ALogP
5
HBA
6
HBD
190.3
PSA (Ų)
0.30
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | Ki | 5.96 | 5.96 | 1109.0 | 1 |
| N-acetylated-alpha-linked acidic dipeptidase 2 CHEMBL2609 | Ki | 5.96 | 5.96 | 1109.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-acetylated-alpha-linked acidic dipeptidase 2 | Ki | = | 1109.0 | nM | 5.96 | In vitro inhibitory activity against human Glutamate carboxypeptidase II by usin... | 15027864 |
| Glutamate carboxypeptidase 2 | Ki | = | 1109.0 | nM | 5.96 | Binding affinity to NAALADase | 23025786 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15027864 | 10.1021/jm0306226 | N-acetylated-alpha-linked acidic dipeptidase 2 | 1 |
| 23025786 | 10.1021/jm300710j | Glutamate carboxypeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine