Compound Detail
CHEMBL418226
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Basic Information
| ChEMBL ID | CHEMBL418226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWZMTWHHQXOWQR-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
4.95
ALogP
5
HBA
1
HBD
76.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.3
Kd 2 meas. best 10.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094256 | Kd | 10.3 | 10.3 | 0.1 | 1 |
| Type-1 angiotensin II receptor CHEMBL3948 | Kd | 10.3 | 10.3 | 0.1 | 1 |
| Type-1 angiotensin II receptor CHEMBL1671613 | IC50 | 8.3 | 8.05 | 5.0 | 4 |
| Angiotensin II receptor CHEMBL2094256 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | Kd | = | 0.05012 | nM | 10.3 | Inhibition of angiotensin II-induced contractions in rabbit aorta in vitro. | 8576904 |
| Type-1 angiotensin II receptor | Kd | = | 0.05012 | nM | 10.3 | Antagonist activity at angiotensin AT1 receptor in rabbit aorta | 21071232 |
| Angiotensin II receptor | IC50 | = | 5.0 | nM | 8.3 | Inhibition of [125I]AII binding to guinea pig adrenal membrane | - |
| Type-1 angiotensin II receptor | IC50 | = | 5.0 | nM | 8.3 | Compound was tested for in vitro inhibition of specific binding of [I-125]AII to... | - |
| Type-1 angiotensin II receptor | IC50 | = | 5.0 | nM | 8.3 | In vitro antagonistic potency against Angiotensin II receptor, type 1 in guinea ... | 8576904 |
| Type-1 angiotensin II receptor | IC50 | = | 5.0 | nM | 8.3 | Binding affinity to angiotensin AT1 receptor in guinea pig adrenal cortex membra... | 21071232 |
| Type-1 angiotensin II receptor | IC50 | = | 50.0 | nM | 7.3 | Inhibition of [125I]angiotensin binding to a guinea pig adrenal membrane prepara... | 8487261 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21071232 | 10.1016/j.bmc.2010.10.043 | Type-1 angiotensin II receptor | 2 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
| 8487261 | 10.1021/jm00061a016 | Type-1 angiotensin II receptor | 1 |
| 8487261 | 10.1021/jm00061a016 | Rattus norvegicus | 1 |
| - | 10.1016/S0960-894X(01)81136-7 | Angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81136-7 | Rattus norvegicus | 1 |
| - | 10.1016/S0960-894X(01)80295-X | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)80295-X | Rattus norvegicus | 1 |
| 8576904 | 10.1021/jm9504722 | Type-1 angiotensin II receptor | 1 |
| 8576904 | 10.1021/jm9504722 | Angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine