Compound Detail
CHEMBL263531
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)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Basic Information
| ChEMBL ID | CHEMBL263531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPQKDEDGEANJNG-PJRHAEEISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
686.9
MW (Da)
2.71
ALogP
7
HBA
5
HBD
157.3
PSA (Ų)
0.17
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Renin CHEMBL286 | IC50 | 9.32 | 9.32 | 0.5 | 1 |
| Cathepsin D CHEMBL4106 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Renin | IC50 | = | 0.48 | nM | 9.32 | In vitro inhibition of monkey renin. | 1635057 |
| Cathepsin D | IC50 | = | 270.0 | nM | 6.57 | Compound was evaluated for the percent inhibition of Cathepsin D in Bovine | 1635057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1635057 | 10.1021/jm00092a006 | Monkey | 3 |
| 1635057 | 10.1021/jm00092a006 | Cathepsin D | 2 |
| 1635057 | 10.1021/jm00092a006 | Renin | 1 |
Data from ChEMBL 36 via Core Engine