Compound Detail
CHEMBL306641
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CCCCNC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc3c(C)c(NC(=O)CCC)cnc32)cc1
Basic Information
| ChEMBL ID | CHEMBL306641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARDOFRQYQZJOFJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
604.8
MW (Da)
5.93
ALogP
7
HBA
3
HBD
135.1
PSA (Ų)
0.16
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 4.3 | nM | 8.37 | In vitro binding affinity determined by its ability to displace the specific bin... | - |
| Type-2 angiotensin II receptor | IC50 | = | 28.0 | nM | 7.55 | In vitro binding affinity determined by its ability to displace the specific bin... | - |
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 |
Data from ChEMBL 36 via Core Engine