Compound Detail
CHEMBL68618
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CCCCC(=O)Nc1cnc2c(c1)nc(CCCC)n2Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)CCC2CCCC2)cc1
Basic Information
| ChEMBL ID | CHEMBL68618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBCLYODXVYFHEI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
643.9
MW (Da)
7.39
ALogP
7
HBA
2
HBD
123.0
PSA (Ų)
0.14
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 9.92 | 9.92 | 0.1 | 1 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 9.35 | 9.35 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 0.12 | nM | 9.92 | In vitro binding affinity determined by its ability to displace the specific bin... | - |
| Type-2 angiotensin II receptor | IC50 | = | 0.45 | nM | 9.35 | 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