Compound Detail
CHEMBL174080
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CCCc1ccc2c(c1)-c1ccc(cc1)Cn1c(CCC)nc3ccc(cc3c1=O)N(C(=O)OCc1ccccc1)CCCCCCCC(=O)NS2(=O)=O
Basic Information
| ChEMBL ID | CHEMBL174080 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKLBTCRSDDOBRH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
749.0
MW (Da)
8.32
ALogP
8
HBA
1
HBD
127.7
PSA (Ų)
0.19
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-2 angiotensin II receptor | IC50 | = | 20.0 | nM | 7.7 | Inhibition of [125I]-Sar1-Ile8-Ang II binding to rat midbrain Angiotensin II rec... | - |
| Type-1 angiotensin II receptor | IC50 | = | 30.0 | nM | 7.52 | Inhibition of [125I]-Sar1-Ile8-Ang II binding to Angiotensin II receptor type 1 ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00116-3 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/0960-894X(96)00116-3 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine