Compound Detail
CHEMBL98426
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CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)C2CCC2)cc1.ClC(Cl)Cl
Basic Information
| ChEMBL ID | CHEMBL98426 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAFWMVQKNLIDJK-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1179757 |
| Active Moiety | CHEMBL1179757 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
612.7
MW (Da)
5.72
ALogP
7
HBA
1
HBD
103.1
PSA (Ų)
0.25
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 9.08 | 9.08 | 0.8 | 1 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 0.84 | nM | 9.08 | In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor us... | 8064808 |
| Type-2 angiotensin II receptor | IC50 | = | 100.0 | nM | 7.0 | In vitro inhibitory activity against angiotensin II rat midbrain AT2 receptor us... | 8064808 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8064808 | 10.1021/jm00043a020 | Type-1 angiotensin II receptor | 1 |
| 8064808 | 10.1021/jm00043a020 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine