Compound Detail
CHEMBL125621
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Basic Information
| ChEMBL ID | CHEMBL125621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYCBTEDILWDLIL-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
404.9
MW (Da)
4.85
ALogP
5
HBA
2
HBD
75.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.7
Ki 1 meas. best 4.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094256 | Kd | 5.7 | 5.7 | 1995.3 | 1 |
| Angiotensin II receptor CHEMBL2094112 | Ki | 4.94 | 4.94 | 11600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | Kd | = | 1995.26 | nM | 5.7 | Tested for the antagonism of AII-induced contraction in rabbit endothelium-denud... | 7966154 |
| Angiotensin II receptor | Ki | = | 11600.0 | nM | 4.94 | Tested for the binding affinity using radioligand [125I]-Sar1 Ile8-AII in the ra... | 7966154 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7966154 | 10.1021/jm00049a012 | Angiotensin II receptor | 2 |
Data from ChEMBL 36 via Core Engine