Compound Detail
CHEMBL2236976
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
CCCCC(=O)Nc1ccc(Cl)c(-n2nc(CCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)c4cc(Cl)ccc4Cl)cc3F)c2=O)c1
Basic Information
| ChEMBL ID | CHEMBL2236976 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFCPEBOSWGHACP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
773.1
MW (Da)
8.05
ALogP
8
HBA
2
HBD
132.2
PSA (Ų)
0.12
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 9.72 | 9.72 | 0.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 0.19 | nM | 9.72 | Antagonist activity at Oryctolagus cuniculus (rabbit) aortic AT1 receptor | - |
| Type-1 angiotensin II receptor | IC50 | = | 0.1901 | nM | 9.72 | Antagonist activity at Oryctolagus cuniculus (rabbit) aortic AT1 receptor | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-011-9815-x | Type-1 angiotensin II receptor | 2 |
Data from ChEMBL 36 via Core Engine