Compound Detail
CHEMBL70029
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Basic Information
| ChEMBL ID | CHEMBL70029 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXGAVTTWVWGFOA-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
445.6
MW (Da)
4.47
ALogP
7
HBA
1
HBD
94.3
PSA (Ų)
0.34
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.25
Kd 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094256 | Kd | 9.0 | 9.0 | 1.0 | 1 |
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 8.25 | 8.25 | 5.6 | 2 |
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 8.25 | 8.25 | 5.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | Kd | = | 1.0 | nM | 9.0 | Antagonism of angiotensin-II mediated contraction of rabbit aortic rings express... | 8340920 |
| Type-1 angiotensin II receptor B | IC50 | = | 5.6 | nM | 8.25 | Inhibition of [125I]angiotensin-II binding to the angiotensin II receptor type 1... | 8340920 |
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 5.6 | nM | 8.25 | Displacement of [125I]-angiotensin 2 from angiotensin AT1 receptor in Rattus nor... | - |
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 5.6 | nM | 8.25 | Displacement of [125I]-angiotensin 2 from angiotensin AT1 receptor in Rattus nor... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-011-9622-4 | Angiotensin II receptor (AT-1) type-1 | 2 |
| 8340920 | 10.1021/jm00067a015 | Type-1 angiotensin II receptor B | 1 |
| 8340920 | 10.1021/jm00067a015 | Angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine