Compound Detail
CHEMBL7641
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Basic Information
| ChEMBL ID | CHEMBL7641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFVAHIKNRDQTNV-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
5.27
ALogP
5
HBA
1
HBD
72.3
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094256 | IC50 | 7.02 | 7.02 | 96.0 | 2 |
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 7.02 | 7.02 | 96.0 | 1 |
| Type-1 angiotensin II receptor CHEMBL3374 | IC50 | 6.05 | 6.045 | 900.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | IC50 | = | 96.0 | nM | 7.02 | Concentration required for 50% displacement of the specifically bound [3-[125I]-... | 1548677 |
| Angiotensin II receptor | IC50 | = | 96.0 | nM | 7.02 | Displacement of monoiodinated angiotensin II from guinea-pig adrenal gland angio... | - |
| Type-1 angiotensin II receptor | IC50 | = | 96.0 | nM | 7.02 | Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II recepto... | 8496939 |
| Unchecked | IC50 | = | 900.0 | nM | 6.05 | In vitro for inhibition of specific binding of [125I]-angiotensin II (0.02 nM) t... | 8510105 |
| Type-1 angiotensin II receptor | IC50 | = | 900.0 | nM | 6.05 | Displacement of [125I]angiotensin 2 from type-1 angiotensin 2 receptor in Bos ta... | - |
| Type-1 angiotensin II receptor | IC50 | = | 901.57 | nM | 6.04 | Displacement of [125I]angiotensin 2 from type-1 angiotensin 2 receptor in Bos ta... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8510105 | 10.1021/jm00064a011 | Rattus norvegicus | 3 |
| - | 10.1016/S0960-894X(00)80279-6 | Angiotensin II receptor | 2 |
| - | 10.1007/s00044-009-9182-z | Type-1 angiotensin II receptor | 2 |
| 1548677 | 10.1021/jm00083a011 | Angiotensin II receptor | 1 |
| 1548677 | 10.1021/jm00083a011 | Type-2 angiotensin II receptor | 1 |
| 8510105 | 10.1021/jm00064a011 | Unchecked | 1 |
| 8496939 | 10.1021/jm00057a009 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine