Compound Detail
CHEMBL2283575
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CCCn1nc(C2CC2)c(C(N)=O)c1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL2283575 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCEPCZCCNOFLMS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
514.6
MW (Da)
5.33
ALogP
5
HBA
2
HBD
107.1
PSA (Ų)
0.30
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 8.13 | 8.13 | 7.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 7.413 | nM | 8.13 | Antagonist activity at AT1 receptor in Rattus norvegicus (rat) liver | - |
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 7.4 | nM | 8.13 | Antagonist activity at AT1 receptor in Rattus norvegicus (rat) liver | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-012-0206-8 | Angiotensin II receptor (AT-1) type-1 | 2 |
Data from ChEMBL 36 via Core Engine