Compound Detail
CHEMBL3143143
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CC(C)CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](O)[C@@H](N)CC(C)C)C(C)C)C(C)C
Basic Information
| ChEMBL ID | CHEMBL3143143 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSOFSRKCAJLYTE-CADBVGFASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
428.6
MW (Da)
1.16
ALogP
5
HBA
5
HBD
133.6
PSA (Ų)
0.30
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL2590 | Ki | 6.75 | 6.75 | 180.0 | 1 |
| Cytosol aminopeptidase CHEMBL3965 | Ki | 6.05 | 6.05 | 890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | Ki | = | 180.0 | nM | 6.75 | Compound was evaluated for the inhibition of Aminopeptidase M (AP-M) and the inh... | 6142952 |
| Cytosol aminopeptidase | Ki | = | 890.0 | nM | 6.05 | Compound was evaluated for the inhibition of Leucine aminopeptidase and the inhi... | 6142952 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6142952 | 10.1021/jm00370a001 | Cytosol aminopeptidase | 1 |
| 6142952 | 10.1021/jm00370a001 | Aminopeptidase N | 1 |
Data from ChEMBL 36 via Core Engine