Compound Detail
CHEMBL64674
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CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccc(C(=O)O)cc2)[C@H](C(=O)O)C1
Basic Information
| ChEMBL ID | CHEMBL64674 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJUNQKKEQZRWQC-SANMLTNESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
552.7
MW (Da)
5.52
ALogP
4
HBA
2
HBD
121.7
PSA (Ų)
0.33
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-2 angiotensin II receptor | IC50 | = | 180.0 | nM | 6.75 | Inhibition of Angiotensin II receptor, type 2 in rat midbrain using [125I]-Sar1,... | - |
| Type-1 angiotensin II receptor | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of angiotensin Angiotensin II receptor, type 1 in rabbit aorta using ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81007-6 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81007-6 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine