Compound Detail
CHEMBL26548
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CCCCc1nc2ccc(S(C)(=O)=O)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
Basic Information
| ChEMBL ID | CHEMBL26548 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDAHGYXACBSDBI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
514.6
MW (Da)
4.04
ALogP
8
HBA
1
HBD
123.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 8.52 | 8.32 | 3.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 3.0 | nM | 8.52 | Ability to displace [125I]Sar1-Ile8-AII from angiotensin II receptor, type 1 in ... | - |
| Type-1 angiotensin II receptor | IC50 | = | 7.6 | nM | 8.12 | Displacement of [125I]Sar1-Ile8-AII (without BSA) from type 1 Angiotensin II rec... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80335-2 | Rattus norvegicus | 3 |
| - | 10.1016/S0960-894X(00)80335-2 | Type-1 angiotensin II receptor | 2 |
| - | 10.1016/S0960-894X(00)80335-2 | Angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(00)80335-2 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine