Compound Detail
CHEMBL429847
MILFASARTAN 🧪 Phase II
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🧪 Phase II
CCCCc1nc(C)n(Cc2sccc2C(=O)OC)c(=O)c1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
Basic Information
| ChEMBL ID | CHEMBL429847 |
| Name | MILFASARTAN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | QVFVAKQHELFATN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
1
Known Names
Molecular Properties
554.7
MW (Da)
5.23
ALogP
9
HBA
1
HBD
115.7
PSA (Ų)
0.24
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
Ki 3 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | Ki | 9.05 | 9.05 | 0.9 | 1 |
| Unchecked CHEMBL612545 | Ki | 9.05 | 9.05 | 0.9 | 1 |
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | Ki | 8.85 | 8.85 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | Ki | = | 0.9 | nM | 9.05 | Binding affinity was evaluated towards Angiotensin II receptor, type 1 in rabbit... | 8576904 |
| Unchecked | Ki | = | 0.9 | nM | 9.05 | Binding affinity to angiotensin AT1 receptor in rat adrenal cortical membranes | 21071232 |
| Angiotensin II receptor (AT-1) type-1 | Ki | = | 1.4 | nM | 8.85 | Displacement of [3H]angiotensin II from Angiotensin II type 1 receptor in rat ad... | 7490730 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7490730 | 10.1021/jm00024a008 | Angiotensin II receptor | 2 |
| 7490730 | 10.1021/jm00024a008 | Rattus norvegicus | 2 |
| 7490730 | 10.1021/jm00024a008 | Angiotensin II receptor (AT-1) type-1 | 1 |
| 7490730 | 10.1021/jm00024a008 | Type-1 angiotensin II receptor | 1 |
| 8576904 | 10.1021/jm9504722 | Type-1 angiotensin II receptor | 1 |
| 8576904 | 10.1021/jm9504722 | Oryctolagus cuniculus | 1 |
| 18191398 | 10.1016/j.bmcl.2007.11.136 | Type-1 angiotensin II receptor A | 1 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine