Compound Detail
CHEMBL77185
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Basic Information
| ChEMBL ID | CHEMBL77185 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTKOMFDYJWKCKL-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
3.82
ALogP
6
HBA
1
HBD
103.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | Ki | 6.26 | 5.71 | 550.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 | Ki | = | 550.0 | nM | 6.26 | Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical mem... | 8360878 |
| Angiotensin II receptor (AT-1) type-1 | Ki | = | 550.0 | nM | 6.26 | Binding affinity of compound in presence of bovine serum albumin (BSA) at 0.01% ... | 8360878 |
| Angiotensin II receptor (AT-1) type-1 | Ki | = | 24400.0 | nM | 4.61 | Binding affinity of compound in presence of bovine serum albumin (BSA) at 0.22% ... | 8360878 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8360878 | 10.1021/jm00068a010 | Angiotensin II receptor (AT-1) type-1 | 3 |
| 8360878 | 10.1021/jm00068a010 | Angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine