Compound Detail
CHEMBL267056
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CCCCc1nc2c(=O)[nH][nH]c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
Basic Information
| ChEMBL ID | CHEMBL267056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYORVCBZFIMQEE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
442.5
MW (Da)
2.65
ALogP
7
HBA
3
HBD
138.0
PSA (Ų)
0.35
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094256 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | IC50 | = | 17.0 | nM | 7.77 | Displacement of monoiodinated angiotensin II from guinea-pig adrenal gland angio... | - |
| Type-1 angiotensin II receptor | IC50 | = | 17.0 | nM | 7.77 | Binding affinity to angiotensin AT1 receptor | 21071232 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80279-6 | Angiotensin II receptor | 2 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine