Compound Detail
CHEMBL286733
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
O=S(=O)(NCc1ccc([C@H]2CCNC[C@@H]2OCc2ccc3ccccc3c2)cc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL286733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LISUBEHLPYMJLG-WDYNHAJCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
486.6
MW (Da)
4.98
ALogP
4
HBA
2
HBD
67.4
PSA (Ų)
0.37
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Renin CHEMBL286 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Renin | IC50 | = | 40000.0 | nM | 4.4 | In vitro inhibitory activity against purified recombinant human renin | 10360744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10360744 | 10.1016/s0960-894x(99)00195-x | Renin | 1 |
Data from ChEMBL 36 via Core Engine