Compound Detail
CHEMBL305544
SAPRISARTAN 🧪 Phase II
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🧪 Phase II
CCc1nc(C2CC2)c(C(N)=O)n1Cc1ccc2oc(-c3ccccc3NS(=O)(=O)C(F)(F)F)c(Br)c2c1
Basic Information
| ChEMBL ID | CHEMBL305544 |
| Name | SAPRISARTAN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | DUEWVPTZCSAMNB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
13
PK Parameters
10
Publications
3
Known Names
Molecular Properties
611.4
MW (Da)
5.91
ALogP
6
HBA
2
HBD
120.2
PSA (Ų)
0.26
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
Ki 3 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094112 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| Unchecked CHEMBL612545 | Ki | 9.3 | 9.3 | 0.5 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 8.9 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 1.6 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 8.9 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 79.0 | % | Rattus norvegicus |
| F | - | % | Canis lupus familiaris |
| F | 79.0 | % | Rattus norvegicus |
| F | 79.0 | % | Rattus norvegicus |
| T1/2 | 3.2 | hr | Rattus norvegicus |
| T1/2 | 9.3 | hr | Canis lupus familiaris |
| T1/2 | 3.2 | hr | Rattus norvegicus |
| Vd | 2.4 | L.kg-1 | Rattus norvegicus |
| Vd | 0.9 | L.kg-1 | Canis lupus familiaris |
| Vd | 2.4 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | Ki | = | 0.5012 | nM | 9.3 | Tested for in vitro binding affinity against angiotensin II receptor of rat live... | 7932534 |
| Angiotensin II receptor (AT-1) type-1 | Ki | = | 0.5012 | nM | 9.3 | In vitro antagonistic potency against Angiotensin II receptor, type 1 in rat liv... | 8576904 |
| Unchecked | Ki | = | 0.5012 | nM | 9.3 | Displacement of [3H]-angiotensin 2 from angiotensin AT1 receptor in rat liver me... | 21071232 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932534 | 10.1021/jm00045a016 | Rattus norvegicus | 7 |
| 7932534 | 10.1021/jm00045a016 | Canis familiaris | 4 |
| - | 10.1016/S0960-894X(01)81012-X | Rattus norvegicus | 4 |
| 7932534 | 10.1021/jm00045a016 | Angiotensin II receptor | 1 |
| 8576904 | 10.1021/jm9504722 | Oryctolagus cuniculus | 1 |
| 8576904 | 10.1021/jm9504722 | Angiotensin II receptor (AT-1) type-1 | 1 |
| 8576904 | 10.1021/jm9504722 | ADMET | 1 |
| - | 10.1016/S0960-894X(01)81012-X | Type-1 angiotensin II receptor | 1 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Unchecked | 1 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine