Compound Detail
CHEMBL28311
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=C(N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Basic Information
| ChEMBL ID | CHEMBL28311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVPCJACDNLTJEX-WDJCGXDUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
796.9
MW (Da)
0.11
ALogP
10
HBA
6
HBD
207.3
PSA (Ų)
0.11
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Renin CHEMBL286 | IC50 | 8.53 | 8.53 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Renin | IC50 | = | 2.96 | nM | 8.53 | The concentration producing 50% inhibition of renin activity in monkey plasma wa... | 1732531 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1732531 | 10.1021/jm00079a001 | Renin | 1 |
| 1732531 | 10.1021/jm00079a001 | Cathepsin D | 1 |
| 1732531 | 10.1021/jm00079a001 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine