Compound Detail
CHEMBL319730
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CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(-c2cc(CC)ccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL319730 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEPYFWHKXWJXGU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
734.7
MW (Da)
7.43
ALogP
8
HBA
2
HBD
132.2
PSA (Ų)
0.13
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 9.6 | 9.6 | 0.2 | 1 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 8.46 | 8.46 | 3.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 0.25 | nM | 9.6 | In vitro ability to inhibit the binding of radioligand 125I[Sar1,IIe8]AII to AT1... | - |
| Type-2 angiotensin II receptor | IC50 | = | 3.5 | nM | 8.46 | In vitro ability to inhibit the binding of radioligand 125I[Sar1,IIe8]AII to AT2... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 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 |
Data from ChEMBL 36 via Core Engine