Compound Detail
CHEMBL346397
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CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL346397 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVQGHYMQIXFLEX-GZPNUTHRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
-0.95
ALogP
7
HBA
7
HBD
196.1
PSA (Ų)
0.18
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamyl aminopeptidase CHEMBL3439 | Ki | 7.89 | 7.89 | 13.0 | 1 |
| Aminopeptidase N CHEMBL2590 | Ki | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamyl aminopeptidase | Ki | = | 13.0 | nM | 7.89 | Binding affinity against recombinant Aminopeptidase A | 10602705 |
| Aminopeptidase N | Ki | = | 120.0 | nM | 6.92 | Binding affinity against aminopeptidase N from pig kidney | 10602705 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10602705 | 10.1021/jm9903040 | Glutamyl aminopeptidase | 1 |
| 10602705 | 10.1021/jm9903040 | Aminopeptidase N | 1 |
Data from ChEMBL 36 via Core Engine