Compound Detail
CHEMBL311743
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Basic Information
| ChEMBL ID | CHEMBL311743 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYFIHYMZPWVIAH-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
458.9
MW (Da)
4.80
ALogP
6
HBA
2
HBD
93.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.8
Kd 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094112 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | Kd | 5.5 | 5.5 | 3162.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | IC50 | = | 1600.0 | nM | 5.8 | Ability to displace [125I]-labeled angiotensin II from its receptor of a rat ute... | 1875338 |
| Oryctolagus cuniculus | Kd | = | 3162.28 | nM | 5.5 | The compound was tested for antagonism of AII-induced contraction of rabbit aort... | 1875338 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1875338 | 10.1021/jm00112a015 | Angiotensin II receptor | 2 |
| 1875338 | 10.1021/jm00112a015 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine