Compound Detail
CHEMBL168771
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CCCc1nc2ccc(NC(=O)c3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL168771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXKOMYLFUMRCEP-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
656.8
MW (Da)
6.44
ALogP
7
HBA
2
HBD
127.2
PSA (Ų)
0.17
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 9.0 | 9.0 | 1.0 | 2 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 7.8 | 7.8 | 16.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 0.99 | nM | 9.0 | Tested in vitro for binding affinity against Angiotensin II receptor, type 1 in ... | - |
| Type-1 angiotensin II receptor | IC50 | = | 1.0 | nM | 9.0 | Inhibition of [125I]-Sar1-Ile8-Ang II binding to Angiotensin II receptor type 1 ... | - |
| Type-2 angiotensin II receptor | IC50 | = | 16.0 | nM | 7.8 | In vitro for binding affinity against angiotensin II receptor type 2 in rat midb... | - |
| Type-2 angiotensin II receptor | IC50 | = | 16.0 | nM | 7.8 | Inhibition of [125I]-Sar1-Ile8-Ang II binding to rat midbrain Angiotensin II rec... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81126-4 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81126-4 | Type-2 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81126-4 | Unchecked | 1 |
| - | 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