Compound Detail
CHEMBL49170
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Basic Information
| ChEMBL ID | CHEMBL49170 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYPAHCVBAFBKAC-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
412.9
MW (Da)
4.99
ALogP
4
HBA
2
HBD
92.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094112 | IC50 | 7.04 | 7.04 | 92.0 | 2 |
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 7.04 | 7.04 | 92.0 | 1 |
| Type-1 angiotensin II receptor CHEMBL3374 | IC50 | 6.89 | 6.89 | 130.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B | IC50 | = | 92.0 | nM | 7.04 | Binding affinity against angiotensin II receptor type 1 (AT1) from rat liver. | 8510101 |
| Angiotensin II receptor | IC50 | = | 92.0 | nM | 7.04 | Inhibition of specific binding of [3H]angiotensin II (2 nM) to rat adrenal corti... | - |
| Angiotensin II receptor | IC50 | = | 92.0 | nM | 7.04 | Inhibition of radioligand [3H]angiotensin II binding to angiotensin II receptor ... | 1875348 |
| Type-1 angiotensin II receptor | IC50 | = | 130.0 | nM | 6.89 | In vitro for inhibition of [125I]-angiotensin II (0.1 nM) binding to angiotensin... | 8568823 |
| Type-1 angiotensin II receptor | IC50 | = | 130.0 | nM | 6.89 | Inhibition of [125l]-All binding to bovine adrenal cortex | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1875348 | 10.1021/jm00112a031 | Rattus norvegicus | 2 |
| 8510101 | 10.1021/jm00064a007 | Type-1 angiotensin II receptor B | 1 |
| 8568823 | 10.1021/jm950450f | Type-1 angiotensin II receptor | 1 |
| 8568823 | 10.1021/jm950450f | Angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81143-4 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81143-4 | Rattus norvegicus | 1 |
| - | 10.1016/S0960-894X(01)81143-4 | Angiotensin II receptor | 1 |
| 1875348 | 10.1021/jm00112a031 | Angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine