Compound Detail
CHEMBL71925
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CCCCc1nc2c(C)c(NC(=O)N(c3ccccc3)c3ccccc3)cnc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
Basic Information
| ChEMBL ID | CHEMBL71925 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWWJBFAYIYJQAS-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
633.8
MW (Da)
8.35
ALogP
7
HBA
2
HBD
117.5
PSA (Ų)
0.16
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 9.22 | 9.22 | 0.6 | 2 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 6.85 | 6.85 | 140.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 0.6 | nM | 9.22 | In vitro binding affinity determined by its ability to displace the specific bin... | - |
| Type-1 angiotensin II receptor | IC50 | = | 0.6 | nM | 9.22 | Inhibition of Angiotensin II receptor, type 1 | 8576904 |
| Type-2 angiotensin II receptor | IC50 | = | 140.0 | nM | 6.85 | In vitro binding affinity determined by its ability to displace the specific bin... | - |
| Type-2 angiotensin II receptor | IC50 | = | 140.0 | nM | 6.85 | Inhibitory activity at Angiotensin II type 2 receptor. | 8576904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81115-X | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81115-X | Type-2 angiotensin II receptor | 1 |
| 8576904 | 10.1021/jm9504722 | Type-1 angiotensin II receptor | 1 |
| 8576904 | 10.1021/jm9504722 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine