Compound Detail
CHEMBL130896
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Basic Information
| ChEMBL ID | CHEMBL130896 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLQFKFSAJNUOPT-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
524.7
MW (Da)
7.25
ALogP
4
HBA
3
HBD
96.2
PSA (Ų)
0.21
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.54
IC50 2 meas. best 7.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 7.78 | 7.78 | 16.6 | 1 |
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Type-1 angiotensin II receptor CHEMBL227 | Ki | 7.54 | 7.54 | 29.0 | 1 |
| Type-1 angiotensin II receptor CHEMBL3948 | Ki | 7.54 | 7.54 | 29.0 | 1 |
| Type-2 angiotensin II receptor CHEMBL4607 | Ki | 6.32 | 6.32 | 480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 16.59 | nM | 7.78 | GPCR PRESTO-Tango dose-response in antagonist mode with target: AGTR1 | - |
| Type-1 angiotensin II receptor B | IC50 | = | 26.0 | nM | 7.58 | Inhibition of specific binding of [125I]angiotensin-II to angiotensin 1 receptor... | 8258826 |
| Type-1 angiotensin II receptor | Ki | = | 29.0 | nM | 7.54 | Tested for in vitro binding affinity against angiotensin I (AT1) receptor to com... | 7799397 |
| Type-1 angiotensin II receptor | Ki | = | 29.0 | nM | 7.54 | Ki value was evaluated against Angiotensin II receptor, type 1 | 8576904 |
| Type-2 angiotensin II receptor | Ki | = | 480.0 | nM | 6.32 | Ki value was evaluated against Angiotensin II receptor, type 2 | 8576904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4689842 | HEK-293T | 10 |
| - | 10.6019/CHEMBL4689842 | U2OS | 9 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 6 |
| - | 10.6019/CHEMBL5209801 | N-formyl peptide receptor 2 | 5 |
| - | 10.6019/CHEMBL5209801 | Free fatty acid receptor 4 | 5 |
| - | 10.6019/CHEMBL5209801 | Type-1 angiotensin II receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Sphingosine 1-phosphate receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | Apelin receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Glucose-dependent insulinotropic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Adhesion G-protein coupled receptor F1 | 5 |
| - | 10.6019/CHEMBL5209801 | CX3C chemokine receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | C5a anaphylatoxin chemotactic receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | Beta-2 adrenergic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Alpha-2A adrenergic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Glucagon-like peptide 1 receptor | 5 |
| - | 10.6019/CHEMBL5209801 | G-protein coupled receptor 35 | 2 |
| - | 10.6019/CHEMBL5665443 | Uracil-DNA glycosylase | 1 |
| - | 10.6019/CHEMBL5060014 | Peregrin | 1 |
| - | 10.6019/CHEMBL5060014 | Bromodomain-containing protein 4 | 1 |
| 8576904 | 10.1021/jm9504722 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine