Compound Detail
CHEMBL326400
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
CCCc1nc(C(C)(C)O)c(C(=O)OCC)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
Basic Information
| ChEMBL ID | CHEMBL326400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYYGFMDEVYVZGY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
4.14
ALogP
8
HBA
2
HBD
118.8
PSA (Ų)
0.35
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3374 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 200.0 | nM | 6.7 | In vitro for inhibition of [125I]-angiotensin II (0.1 nM) binding to angiotensin... | 8568823 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8568823 | 10.1021/jm950450f | Rattus norvegicus | 3 |
| 8568823 | 10.1021/jm950450f | Type-1 angiotensin II receptor | 1 |
| 8568823 | 10.1021/jm950450f | Angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine