Compound Detail
CHEMBL258642
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)[C@H](Cc1ccc(O)cc1)NC(=O)C1(CN)CCCC1)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 | CHEMBL258642 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UATCOVGKINYWTJ-LEOAUMQFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
801.0
MW (Da)
1.72
ALogP
9
HBA
8
HBD
248.9
PSA (Ų)
0.09
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucyl-cystinyl aminopeptidase CHEMBL2693 | Ki | 5.67 | 5.67 | 2138.0 | 1 |
| Aminopeptidase N CHEMBL1907 | Ki | 4.46 | 4.46 | 34673.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leucyl-cystinyl aminopeptidase | Ki | = | 2137.96 | nM | 5.67 | Inhibition of human recombinant IRAP expressed in HEK293 cells | 18386881 |
| Aminopeptidase N | Ki | = | 34673.69 | nM | 4.46 | 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