Compound Detail
CHEMBL339360
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Basic Information
| ChEMBL ID | CHEMBL339360 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJCZHZPIGNTHHG-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
5.37
ALogP
4
HBA
2
HBD
81.1
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.77
Kd 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 7.8 | 7.8 | 15.8 | 1 |
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 15.85 | nM | 7.8 | Competitive antagonism of Angiotensin II receptor in endothelium removed isolate... | 16039125 |
| Type-1 angiotensin II receptor B | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of specific binding of [125I]angiotensin-II to angiotensin 1 receptor... | 8258826 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16039125 | 10.1016/j.bmcl.2005.05.054 | Unchecked | 2 |
| 8258826 | 10.1021/jm00077a007 | Type-1 angiotensin II receptor B | 1 |
Data from ChEMBL 36 via Core Engine