Compound Detail
CHEMBL2205685
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O=c1c(O)c(Oc2ccccc2-c2ccc(CNc3nc(C(F)(F)F)nc4c3CCCC4)cc2)c1=O
Basic Information
| ChEMBL ID | CHEMBL2205685 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNNVPYNADHXGLX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
495.5
MW (Da)
4.75
ALogP
7
HBA
2
HBD
101.4
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-2 angiotensin II receptor CHEMBL4607 | IC50 | 7.62 | 7.61 | 24.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-2 angiotensin II receptor | IC50 | = | 24.0 | nM | 7.62 | Inhibition of Angiotensin 2 binding to Angiotensin 2 receptor (unknown origin) | 33035923 |
| Type-2 angiotensin II receptor | IC50 | = | 25.0 | nM | 7.6 | Antagonist activity at angiotensin 2 receptor | 21413808 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21413808 | 10.1021/jm1013693 | Type-2 angiotensin II receptor | 1 |
| 33035923 | 10.1016/j.ejmech.2020.112872 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine