Compound Detail
CHEMBL25686
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Basic Information
| ChEMBL ID | CHEMBL25686 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTZUVODZZOXRCD-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
350.8
MW (Da)
3.25
ALogP
4
HBA
2
HBD
92.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.8
Kd 1 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094256 | Kd | 6.54 | 6.54 | 288.4 | 1 |
| Angiotensin II receptor CHEMBL2094112 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 5.8 | 5.26 | 1600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | Kd | = | 288.4 | nM | 6.54 | Inhibition of angiotensin II-induced contractions in rabbit aorta in vitro. | 8576904 |
| Angiotensin II receptor | IC50 | = | 1600.0 | nM | 5.8 | Inhibitory concentration that gave 50 percent displacement of specific binding o... | 2329553 |
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 1600.0 | nM | 5.8 | Inhibitory activity against Angiotensin II receptor type 1 in rat adrenal membra... | 8576904 |
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 19000.0 | nM | 4.72 | 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 |
| 2329553 | 10.1021/jm00167a007 | Angiotensin II receptor | 1 |
| 8576904 | 10.1021/jm9504722 | Angiotensin II receptor (AT-1) type-1 | 1 |
| 8576904 | 10.1021/jm9504722 | Angiotensin II receptor | 1 |
| 8576904 | 10.1021/jm9504722 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine