Compound Detail
CHEMBL591342
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
CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cccc(C)c2)C1
Basic Information
| ChEMBL ID | CHEMBL591342 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRGVHLWOKUTLHV-ZNZIZOMTSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
502.7
MW (Da)
4.39
ALogP
5
HBA
3
HBD
91.9
PSA (Ų)
0.39
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Renin CHEMBL286 | IC50 | 9.33 | 8.865 | 0.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Renin | IC50 | = | 0.47 | nM | 9.33 | Inhibition of trypsin-activated human recombinant renin | 19959358 |
| Renin | IC50 | = | 4.0 | nM | 8.4 | Inhibition of human recombinant renin assessed as decrease in plasma renin activ... | 19959358 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19959358 | 10.1016/j.bmcl.2009.11.066 | Renin | 2 |
Data from ChEMBL 36 via Core Engine