Compound Detail
CHEMBL7396
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Basic Information
| ChEMBL ID | CHEMBL7396 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNDMLFMZBUHBMB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
402.4
MW (Da)
4.29
ALogP
6
HBA
2
HBD
101.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| Angiotensin II receptor CHEMBL2094256 | IC50 | 5.67 | 5.67 | 2130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 22.0 | nM | 7.66 | Binding affinity to angiotensin AT1 receptor | 21071232 |
| Angiotensin II receptor | IC50 | = | 2130.0 | nM | 5.67 | Displacement of monoiodinated angiotensin II from guinea-pig adrenal gland angio... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80279-6 | Angiotensin II receptor | 2 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine