Compound Detail
CHEMBL484897
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@@](O)(CCCCOC)c2cccc(Cl)c2F)C1
Basic Information
| ChEMBL ID | CHEMBL484897 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBPSWVGVKWEHLP-IWHLBADBSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
526.1
MW (Da)
5.46
ALogP
4
HBA
3
HBD
73.8
PSA (Ų)
0.32
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Renin CHEMBL286 | IC50 | 10.0 | 8.685 | 0.1 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Renin | IC50 | = | 0.1 | nM | 10.0 | Inhibition of human recombinant renin | 19457666 |
| Renin | IC50 | = | 0.73 | nM | 9.14 | Inhibition of human recombinant renin using DABCYL-gamma-Abu-Ile-His-Pro-Phe-His... | 24900262 |
| Renin | IC50 | = | 9.4 | nM | 8.03 | Inhibition of renin in human plasma assessed as formation of angiotensin1 produc... | 24900262 |
| Renin | IC50 | = | 27.0 | nM | 7.57 | Inhibition of human recombinant renin in presence of human plasma by competitive... | 19457666 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19457666 | 10.1016/j.bmcl.2009.04.140 | Renin | 2 |
| 24900262 | 10.1021/ml200137x | Renin | 2 |
Data from ChEMBL 36 via Core Engine