Compound Detail
CHEMBL47872
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CCCCc1nc2ccc(C3CC(C(=O)O)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
Basic Information
| ChEMBL ID | CHEMBL47872 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHSOUMJBGANKTK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
549.6
MW (Da)
4.54
ALogP
9
HBA
2
HBD
148.2
PSA (Ų)
0.27
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3374 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 500.0 | nM | 6.3 | In vitro Angiotensin II receptor antagonism in bovine adrenal cortex tissue. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80365-0 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine