Compound Detail
CHEMBL191468
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Basic Information
| ChEMBL ID | CHEMBL191468 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQFXPRPZRVAQMJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
434.6
MW (Da)
4.89
ALogP
6
HBA
1
HBD
96.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-2 angiotensin II receptor CHEMBL4607 | Ki | 7.16 | 7.16 | 70.0 | 1 |
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | Ki | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-2 angiotensin II receptor | Ki | = | 70.0 | nM | 7.16 | Displacement of [125I]-Ang II from pig uterus membrane angiotensin II type 2 (AT... | 15537354 |
| Angiotensin II receptor (AT-1) type-1 | Ki | = | 100.0 | nM | 7.0 | Displacement of [125I]-Ang II from rat liver membrane angiotensin II type 1 (AT1... | 15537354 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15537354 | 10.1021/jm049715t | Angiotensin II receptor (AT-1) type-1 | 1 |
| 15537354 | 10.1021/jm049715t | Type-2 angiotensin II receptor | 1 |
| 15537354 | 10.1021/jm049715t | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine