Compound Detail
CHEMBL45998
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Basic Information
| ChEMBL ID | CHEMBL45998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZREMJTMYZZQXII-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
4.43
ALogP
8
HBA
2
HBD
125.7
PSA (Ų)
0.31
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094256 | Kd | 8.86 | 8.86 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | Kd | = | 1.38 | nM | 8.86 | 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 |
Data from ChEMBL 36 via Core Engine