Compound Detail
CHEMBL94145
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
CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)C2(C)SCCS2)cc1
Basic Information
| ChEMBL ID | CHEMBL94145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIENBRWYZMHTGD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
676.8
MW (Da)
6.11
ALogP
9
HBA
1
HBD
103.1
PSA (Ų)
0.22
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 9.66 | 9.66 | 0.2 | 1 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 0.22 | nM | 9.66 | In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor us... | 8064808 |
| Type-2 angiotensin II receptor | IC50 | = | 80.0 | nM | 7.1 | In vitro inhibitory activity against angiotensin II rat midbrain AT2 receptor us... | 8064808 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8064808 | 10.1021/jm00043a020 | Type-1 angiotensin II receptor | 1 |
| 8064808 | 10.1021/jm00043a020 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine