Compound Detail
CHEMBL128318
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Basic Information
| ChEMBL ID | CHEMBL128318 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFMWZMWVFMSNTN-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
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 6.09
Kd 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor A CHEMBL329 | Kd | 7.8 | 7.8 | 15.8 | 1 |
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 6.09 | 6.09 | 820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor A | Kd | = | 15.85 | nM | 7.8 | Antagonist activity at AT1 receptor in rat aorta | 18158200 |
| Type-1 angiotensin II receptor B | IC50 | = | 820.0 | nM | 6.09 | Inhibition of specific binding of [125I]angiotensin-II to angiotensin 1 receptor... | 8258826 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18158200 | 10.1016/j.ejmech.2007.11.008 | Type-1 angiotensin II receptor A | 2 |
| 8258826 | 10.1021/jm00077a007 | Type-1 angiotensin II receptor B | 1 |
| 18158200 | 10.1016/j.ejmech.2007.11.008 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine