Compound Detail
CHEMBL331886
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CCOC(=O)c1c(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(CC2CC2)nn1-c1c(Cl)cccc1Cl
Basic Information
| ChEMBL ID | CHEMBL331886 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAVXLGDCKNPYMU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
573.5
MW (Da)
6.75
ALogP
7
HBA
1
HBD
98.6
PSA (Ų)
0.20
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 7.12 | 7.12 | 76.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 76.0 | nM | 7.12 | Evaluation of Angiotensin II antagonistic activity by displacement of [125I]-Sar... | 8246227 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8246227 | 10.1021/jm00075a014 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine