Compound Detail
CHEMBL449095
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CCCCOC(=O)NS(=O)(=O)c1ccc(CC)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1
Basic Information
| ChEMBL ID | CHEMBL449095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUGRVWVHJHWAPQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
548.7
MW (Da)
6.10
ALogP
7
HBA
1
HBD
103.2
PSA (Ų)
0.24
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 1.4 | nM | 8.85 | Compound was evaluated for inhibition of 125I[Sar1,Ile8] all binding to rabbit a... | - |
| Type-2 angiotensin II receptor | IC50 | = | 37.0 | nM | 7.43 | Compound was evaluated for inhibition of 125I[Sar1,Ile8] aII binding to rat midb... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00017-0 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/0960-894X(96)00017-0 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine