Compound Detail
CHEMBL431390
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CCCc1nc(-n2c(Cl)ccc2Cl)c(C(=O)OCC)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
Basic Information
| ChEMBL ID | CHEMBL431390 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZCXEFICNUTVQL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
550.5
MW (Da)
6.01
ALogP
8
HBA
1
HBD
103.5
PSA (Ų)
0.23
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 8.41 | 8.41 | 3.9 | 1 |
| Angiotensin II receptor CHEMBL2094256 | IC50 | 6.37 | 6.37 | 430.0 | 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 | = | 3.93 | nM | 8.41 | Inhibitory concentration against binding of [125I]angiotensin II to rat liver ex... | 8360871 |
| Angiotensin II receptor | IC50 | = | 430.0 | nM | 6.37 | Inhibitory concentration against [125I]angiotensin II(AII) induced contraction i... | 8360871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8360871 | 10.1021/jm00068a002 | Angiotensin II receptor (AT-1) type-1 | 1 |
| 8360871 | 10.1021/jm00068a002 | Angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine