Compound Detail
CHEMBL1783189
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
COc1ccccc1COCCCOc1ccc(N2C(=O)CNCC2COC2=CC3C(=CC=CN3CCCO)C=C2)cc1
Basic Information
| ChEMBL ID | CHEMBL1783189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSWXEYZBVSQHOV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
587.7
MW (Da)
3.96
ALogP
8
HBA
2
HBD
92.7
PSA (Ų)
0.30
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Renin CHEMBL286 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Renin | IC50 | = | 37.0 | nM | 7.43 | Inhibition of human renin | 21497958 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21497958 | 10.1016/j.ejmech.2011.03.035 | Renin | 1 |
Data from ChEMBL 36 via Core Engine