Compound Detail
CHEMBL359101
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CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H](N)CCS(=O)(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL359101 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXBBHVLOFHSZJG-KJRVMOAMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
-1.53
ALogP
8
HBA
7
HBD
213.2
PSA (Ų)
0.13
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamyl aminopeptidase CHEMBL3439 | Ki | 8.27 | 8.27 | 5.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamyl aminopeptidase | Ki | = | 5.36 | nM | 8.27 | Binding affinity against recombinant Aminopeptidase A | 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