Compound Detail
CHEMBL1077589
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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1077589 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | PDPLYQGIOLHNRW-LEEJNGLHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
786.9
MW (Da)
1.41
ALogP
9
HBA
7
HBD
240.2
PSA (Ų)
0.11
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL1907 | Ki | 6.29 | 6.29 | 512.9 | 1 |
| Leucyl-cystinyl aminopeptidase CHEMBL2693 | Ki | 5.52 | 5.52 | 3019.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | Ki | = | 512.86 | nM | 6.29 | Inhibition of catalytic activity of human aminopeptidase N transfected in HEK293... | 19757839 |
| Leucyl-cystinyl aminopeptidase | Ki | = | 3019.95 | nM | 5.52 | 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