Compound Detail
CHEMBL504736
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC[C@H](C)[C@H](NC(=O)c1cc(Cc2ccc(O)cc2)cc(NC(=O)[C@@H](N)C(C)C)c1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL504736 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPEOODADRHGIFQ-OGAWKEOBSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
837.0
MW (Da)
3.30
ALogP
9
HBA
8
HBD
248.9
PSA (Ų)
0.07
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucyl-cystinyl aminopeptidase CHEMBL2693 | Ki | 5.92 | 5.545 | 1200.0 | 2 |
| Aminopeptidase N CHEMBL1907 | Ki | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leucyl-cystinyl aminopeptidase | Ki | = | 1200.0 | nM | 5.92 | Inhibition of human recombinant IRAP expressed in HEK293 cells | 18556208 |
| Aminopeptidase N | Ki | = | 5000.0 | nM | 5.3 | Inhibition of human recombinant APN expressed in HEK293 cells | 18556208 |
| Leucyl-cystinyl aminopeptidase | Ki | = | 6800.0 | nM | 5.17 | Displacement of [125I]Angiotensin 4 from human recombinant IRAP expressed in CHO... | 18556208 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18556208 | 10.1016/j.bmc.2008.05.046 | Leucyl-cystinyl aminopeptidase | 2 |
| 18556208 | 10.1016/j.bmc.2008.05.046 | Aminopeptidase N | 1 |
Data from ChEMBL 36 via Core Engine