Compound Detail
CHEMBL261417
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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)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL261417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYBPQVRYAVCDCZ-BJDCTHFYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
789.0
MW (Da)
1.58
ALogP
9
HBA
8
HBD
248.9
PSA (Ų)
0.08
QED
2
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucyl-cystinyl aminopeptidase CHEMBL2693 | Ki | 6.84 | 6.84 | 144.5 | 1 |
| Aminopeptidase N CHEMBL1907 | Ki | 5.27 | 5.27 | 5370.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leucyl-cystinyl aminopeptidase | Ki | = | 144.54 | nM | 6.84 | Inhibition of human recombinant IRAP expressed in HEK293 cells | 18386881 |
| Aminopeptidase N | Ki | = | 5370.32 | nM | 5.27 | Inhibition of human recombinant APN expressed in HEK293 cells | 18386881 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18386881 | 10.1021/jm701490g | Leucyl-cystinyl aminopeptidase | 1 |
| 18386881 | 10.1021/jm701490g | Aminopeptidase N | 1 |
Data from ChEMBL 36 via Core Engine