Compound Detail
CHEMBL96075
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CCCCC(=O)Nc1ccc(Cl)c(-n2nc(CCCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)c4ccccc4Cl)cc3)c2=O)c1
Basic Information
| ChEMBL ID | CHEMBL96075 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRNGGZASPSJYFR-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
734.7
MW (Da)
7.65
ALogP
8
HBA
2
HBD
132.2
PSA (Ų)
0.12
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 9.8 | 9.8 | 0.2 | 3 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 8.8 | 8.8 | 1.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 0.16 | nM | 9.8 | Tested for in vitro binding affinity against angiotensin I (AT1) receptor to com... | 7799397 |
| Type-1 angiotensin II receptor | IC50 | = | 0.16 | nM | 9.8 | In vitro ability to inhibit the binding of radioligand 125I[Sar1,IIe8]AII to AT1... | - |
| Type-1 angiotensin II receptor | IC50 | = | 0.16 | nM | 9.8 | Antagonist activity at AT1 receptor in rabbit aorta membranes | - |
| Type-2 angiotensin II receptor | IC50 | = | 1.6 | nM | 8.8 | In vitro binding affinity against angiotensin II (AT2) receptor to competitively... | 7799397 |
| Type-2 angiotensin II receptor | IC50 | = | 1.6 | nM | 8.8 | In vitro ability to inhibit the binding of radioligand 125I[Sar1,IIe8]AII to AT2... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7799397 | 10.1021/jm00052a006 | Rattus norvegicus | 2 |
| 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 |
| - | 10.1016/S0960-894X(01)80595-3 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)80595-3 | Type-2 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)80595-3 | Unchecked | 1 |
| - | 10.1007/s00044-013-0831-x | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine