Compound Detail
CHEMBL140619
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CCCCC(=O)Nc1cccc(-n2nc(CCCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)c4ccccc4Cl)cc3)c2=O)c1
Basic Information
| ChEMBL ID | CHEMBL140619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJEMGANDAVKDDB-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
700.3
MW (Da)
6.99
ALogP
8
HBA
2
HBD
132.2
PSA (Ų)
0.13
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 9.05 | 9.05 | 0.9 | 2 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 0.9 | nM | 9.05 | Tested for in vitro binding affinity against angiotensin I (AT1) receptor to com... | 7799397 |
| Type-1 angiotensin II receptor | IC50 | = | 0.9 | nM | 9.05 | Antagonist activity at AT1 receptor in rabbit aorta membranes | - |
| Type-2 angiotensin II receptor | IC50 | = | 15.0 | nM | 7.82 | In vitro binding affinity against angiotensin II (AT2) receptor to competitively... | 7799397 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7799397 | 10.1021/jm00052a006 | Type-1 angiotensin II receptor | 1 |
| 7799397 | 10.1021/jm00052a006 | Type-2 angiotensin II receptor | 1 |
| 7799397 | 10.1021/jm00052a006 | Angiotensin II receptor | 1 |
| - | 10.1007/s00044-013-0831-x | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine