Compound Detail
CHEMBL169798
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
CCCc1nc2ccc(NC(C)=O)cc2c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)=O)cc1
Basic Information
| ChEMBL ID | CHEMBL169798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBWQPNUMOWPKSI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
532.6
MW (Da)
3.85
ALogP
7
HBA
2
HBD
127.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 16.0 | nM | 7.8 | Tested in vitro for binding affinity against Angiotensin II receptor, type 1 in ... | - |
| Type-2 angiotensin II receptor | IC50 | = | 290.0 | nM | 6.54 | In vitro for binding affinity against angiotensin II receptor type 2 in rat midb... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81126-4 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81126-4 | Type-2 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81126-4 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine