Compound Detail
CHEMBL1276271
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
C=CC[C@H](NC(=O)CNS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CC=C(c2cccc3ccccc23)CC1)[C@@H](O)[C@@H](O)CC(C)C
Basic Information
| ChEMBL ID | CHEMBL1276271 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQYCBPOPNRTYQV-JWTNKBFQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
670.9
MW (Da)
2.89
ALogP
7
HBA
5
HBD
157.3
PSA (Ų)
0.17
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Renin CHEMBL1287631 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Renin | IC50 | = | 11.0 | nM | 7.96 | Inhibition of renin in monkey plasma | 20731374 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20731374 | 10.1021/jm901885s | Renin | 1 |
Data from ChEMBL 36 via Core Engine