Compound Detail
CHEMBL567054
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Basic Information
| ChEMBL ID | CHEMBL567054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQAKOARCTOTCPM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
3.44
ALogP
6
HBA
1
HBD
81.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor A CHEMBL329 | Ki | 5.3 | 5.3 | 5060.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor A | Ki | = | 5060.0 | nM | 5.3 | Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver memb... | 20073471 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20073471 | 10.1021/jm901272d | Type-1 angiotensin II receptor A | 1 |
| 20073471 | 10.1021/jm901272d | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine