Compound Detail
CHEMBL304251
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
CCCCc1cc(=O)n(Cc2ccccc2C(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
Basic Information
| ChEMBL ID | CHEMBL304251 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZLYOKHNUOFSHZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
550.6
MW (Da)
4.08
ALogP
9
HBA
1
HBD
124.8
PSA (Ų)
0.26
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
| Type-1 angiotensin II receptor CHEMBL3374 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B | IC50 | = | 2.4 | nM | 8.62 | Tested for binding affinity against angiotensin II receptor in rat adrenal corte... | - |
| Type-1 angiotensin II receptor | IC50 | = | 27.0 | nM | 7.57 | Tested for binding affinity against angiotensin II receptor in bovine adrenal co... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00370-9 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/0960-894X(95)00370-9 | Type-1 angiotensin II receptor B | 1 |
Data from ChEMBL 36 via Core Engine