Compound Detail
CHEMBL9714
SC-51895 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL9714 |
| Name | SC-51895 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYOGXGMOSXSRMV-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
430.6
MW (Da)
4.69
ALogP
6
HBA
1
HBD
81.4
PSA (Ų)
0.40
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.92
Kd 2 meas. best 8.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094256 | Kd | 8.65 | 8.65 | 2.2 | 1 |
| Type-1 angiotensin II receptor CHEMBL227 | Kd | 8.65 | 8.65 | 2.2 | 1 |
| Angiotensin II receptor CHEMBL2094112 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | Kd | = | 2.239 | nM | 8.65 | Compound was tested for antagonism of Angiotensin II-contracted rabbit aortic ri... | - |
| Type-1 angiotensin II receptor | Kd | = | 2.239 | nM | 8.65 | Antagonist activity at angiotensin AT1 receptor | 21071232 |
| Angiotensin II receptor | IC50 | = | 12.0 | nM | 7.92 | Inhibition of [125I]-AII binding to Angiotensin II receptor of rat uterine membr... | - |
| Type-1 angiotensin II receptor | IC50 | = | 12.0 | nM | 7.92 | Binding affinity to angiotensin AT1 receptor | 21071232 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80286-3 | Angiotensin II receptor | 2 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Type-1 angiotensin II receptor | 2 |
Data from ChEMBL 36 via Core Engine