Compound Detail
CHEMBL2221233
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
CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)NC1C2CC3CC1CC(O)(C3)C2
Basic Information
| ChEMBL ID | CHEMBL2221233 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGQQKSSUXHKDSK-DLUCIBEJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
561.2
MW (Da)
2.93
ALogP
6
HBA
4
HBD
119.1
PSA (Ų)
0.37
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Renin CHEMBL286 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Renin | IC50 | = | 0.9 | nM | 9.05 | Inhibition of renin (unknown origin) | 25728416 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25728416 | 10.1016/j.bmcl.2015.02.003 | Renin | 1 |
Data from ChEMBL 36 via Core Engine