Compound Detail
CHEMBL74118
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(C)nc1OCCOC(=O)c1ccoc1
Basic Information
| ChEMBL ID | CHEMBL74118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNVZRTCDKDRZAF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
581.6
MW (Da)
5.51
ALogP
10
HBA
1
HBD
139.1
PSA (Ų)
0.18
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin receptor type B CHEMBL1785 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Endothelin-1 receptor CHEMBL252 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin receptor type B | IC50 | = | 1000.0 | nM | 6.0 | Receptor binding affinity was determined against [125I]ET1 with membranes prepar... | - |
| Endothelin-1 receptor | IC50 | = | 1100.0 | nM | 5.96 | Receptor binding affinity was determined against [125I]ET1 with recombinant huma... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00400-9 | Endothelin-1 receptor | 1 |
| - | 10.1016/S0960-894X(97)00400-9 | Endothelin receptor type B | 1 |
Data from ChEMBL 36 via Core Engine