Compound Detail
CHEMBL416384
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Basic Information
| ChEMBL ID | CHEMBL416384 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPNBTJXOHVZWOB-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
322.8
MW (Da)
3.12
ALogP
4
HBA
2
HBD
75.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094112 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 4.55 | 4.275 | 28000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | IC50 | = | 1700.0 | nM | 5.77 | Inhibitory concentration that gave 50 percent displacement of specific binding o... | 2329553 |
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 28000.0 | nM | 4.55 | Inhibitory concentration that gives 50% displacement of specific binding at labe... | 12593652 |
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 100000.0 | nM | 4.0 | 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 | 2 |
| 2329553 | 10.1021/jm00167a007 | Angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine