Compound Detail
CHEMBL1077586
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CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC
Basic Information
| ChEMBL ID | CHEMBL1077586 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | MXJAVUJFDFNLLJ-PTQLHCGHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
789.0
MW (Da)
1.72
ALogP
9
HBA
8
HBD
248.9
PSA (Ų)
0.08
QED
2
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL1907 | Ki | 7.28 | 7.28 | 52.5 | 1 |
| Leucyl-cystinyl aminopeptidase CHEMBL2693 | Ki | 4.97 | 4.97 | 10715.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | Ki | = | 52.48 | nM | 7.28 | Inhibition of catalytic activity of human aminopeptidase N transfected in HEK293... | 19757839 |
| Leucyl-cystinyl aminopeptidase | Ki | = | 10715.19 | nM | 4.97 | Inhibition of catalytic activity of human IRAP transfected in HEK293 cells asses... | 19757839 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19757839 | 10.1021/jm900651p | Aminopeptidase N | 2 |
| 19757839 | 10.1021/jm900651p | Leucyl-cystinyl aminopeptidase | 2 |
| 19757839 | 10.1021/jm900651p | Unchecked | 1 |
| 19757839 | 10.1021/jm900651p | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine