Compound Detail
CHEMBL45927
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Basic Information
| ChEMBL ID | CHEMBL45927 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTIBWTGQXRKVOU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
4.29
ALogP
8
HBA
2
HBD
125.7
PSA (Ų)
0.33
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | Kd | 9.3 | 9.3 | 0.5 | 1 |
| Angiotensin II receptor CHEMBL2094256 | Kd | 9.29 | 9.29 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | Kd | = | 0.5012 | nM | 9.3 | Antagonist activity at angiotensin AT1 receptor | 21071232 |
| Angiotensin II receptor | Kd | = | 0.5129 | nM | 9.29 | Tested in vitro for angiotensin II induced antagonistic activity in rabbit aorta... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81141-0 | Angiotensin II receptor | 1 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine