Compound Detail
CHEMBL278305
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CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)C(=O)C(C)C)cc1
Basic Information
| ChEMBL ID | CHEMBL278305 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUPLREUGICSPAY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
628.7
MW (Da)
5.14
ALogP
8
HBA
1
HBD
120.1
PSA (Ų)
0.23
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 0.8 | nM | 9.1 | Displacement of 125I[Sar,Ile] from rabbit aorta membrane Angiotensin II receptor... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81132-X | Rattus norvegicus | 4 |
| - | 10.1016/S0960-894X(01)81132-X | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine