Compound Detail
CHEMBL2114348
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Basic Information
| ChEMBL ID | CHEMBL2114348 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQJBXTYNGFFOJX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
379.8
MW (Da)
3.04
ALogP
5
HBA
2
HBD
93.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 1700.0 | nM | 5.77 | Inhibitory concentration that gives 50% displacement of specific binding at labe... | 12593652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12593652 | 10.1021/jm021032v | Angiotensin II receptor (AT-1) type-1 | 1 |
Data from ChEMBL 36 via Core Engine