Compound Detail
CHEMBL84111
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Basic Information
| ChEMBL ID | CHEMBL84111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFARJNDKGQKGII-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
427.9
MW (Da)
4.38
ALogP
5
HBA
2
HBD
76.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094112 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | IC50 | = | 2900.0 | nM | 5.54 | Inhibition of radioligand [3H]angiotensin II binding to angiotensin II receptor ... | 1875348 |
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 4100.0 | nM | 5.39 | Inhibitory concentration that gives 50% displacement of specific binding at labe... | 12593652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1875348 | 10.1021/jm00112a031 | Rattus norvegicus | 2 |
| 12593652 | 10.1021/jm021032v | Angiotensin II receptor (AT-1) type-1 | 1 |
| 1875348 | 10.1021/jm00112a031 | No relevant target | 1 |
| 1875348 | 10.1021/jm00112a031 | Angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine