Compound Detail
CHEMBL2370765
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CC(C)C[C@@H](N)CC(=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 | CHEMBL2370765 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTLDBIVULRZFDG-BODMPHMZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
0.08
ALogP
6
HBA
6
HBD
187.9
PSA (Ų)
0.21
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL2590 | Ki | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | Ki | = | 25000.0 | nM | 4.6 | 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 | Cytosol aminopeptidase | 1 |
| 6142952 | 10.1021/jm00370a001 | Aminopeptidase N | 1 |
Data from ChEMBL 36 via Core Engine