Compound Detail
CHEMBL322471
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CCCOC(=O)N(Cc1ccccc1)c1ccc2nc(CCC)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c(=O)c2c1
Basic Information
| ChEMBL ID | CHEMBL322471 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANCYVULDNZYYMG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
613.7
MW (Da)
6.80
ALogP
8
HBA
1
HBD
118.9
PSA (Ų)
0.17
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-2 angiotensin II receptor | IC50 | = | 0.8 | nM | 9.1 | Binding affinity against Angiotensin II receptor type 2 from rat mid brain using... | 8230109 |
| Type-1 angiotensin II receptor | IC50 | = | 2.5 | nM | 8.6 | Binding affinity against AT-1 receptor from rabbit aorta using [125I]-Sar1-Ile8-... | 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