Compound Detail
CHEMBL2370764
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CC(C)C[C@H](N)[C@@H](O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C)C(C)C
Basic Information
| ChEMBL ID | CHEMBL2370764 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFAADIRHLBXJJS-XPYWIHLFSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
-0.95
ALogP
7
HBA
7
HBD
208.2
PSA (Ų)
0.17
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL2590 | Ki | 4.7 | 4.64 | 20000.0 | 2 |
| Cytosol aminopeptidase CHEMBL3965 | Ki | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | Ki | = | 20000.0 | nM | 4.7 | Effect of inhibitor structure on the slow binding inhibition of aminopeptidase M... | 6142952 |
| Cytosol aminopeptidase | Ki | = | 20000.0 | nM | 4.7 | Effect of inhibitor structure on the slow binding inhibition of Leucine aminopep... | 6142952 |
| Aminopeptidase N | Ki | = | 26000.0 | nM | 4.58 | Compound was evaluated for the inhibition of Aminopeptidase M (AP-M) and the inh... | 6142952 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6142952 | 10.1021/jm00370a001 | Aminopeptidase N | 4 |
| 6142952 | 10.1021/jm00370a001 | Cytosol aminopeptidase | 3 |
Data from ChEMBL 36 via Core Engine