Compound Detail
CHEMBL326217
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CCCc1nc2ccc(N(C)C(=O)OCC(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
Basic Information
| ChEMBL ID | CHEMBL326217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOMSKQMSQIYKHK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
551.6
MW (Da)
5.47
ALogP
8
HBA
1
HBD
118.9
PSA (Ų)
0.26
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 2.1 | nM | 8.68 | Binding affinity against AT-1 receptor from rabbit aorta using [125I]-Sar1-Ile8-... | 8230109 |
| Type-2 angiotensin II receptor | IC50 | = | 210.0 | nM | 6.68 | Binding affinity against Angiotensin II receptor type 2 from rat mid brain using... | 8230109 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8230109 | 10.1021/jm00073a024 | Type-1 angiotensin II receptor | 1 |
| 8230109 | 10.1021/jm00073a024 | Type-2 angiotensin II receptor | 1 |
| 8230109 | 10.1021/jm00073a024 | Angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine