Compound Detail
CHEMBL298340
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
Basic Information
| ChEMBL ID | CHEMBL298340 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUFUTPBRCCBWAX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
518.7
MW (Da)
5.43
ALogP
8
HBA
1
HBD
107.7
PSA (Ų)
0.35
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin receptor type B CHEMBL3949 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
| Endothelin-1 receptor CHEMBL4566 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin receptor type B | IC50 | = | 310.0 | nM | 6.51 | Binding affinity towards displacement of [125 I] ET-3 from COS-7 cells transfect... | 10969989 |
| Endothelin-1 receptor | IC50 | = | 400.0 | nM | 6.4 | Displacement of [125 I] ET-1 from rat aortic smooth muscle A7r5 cells transfecte... | 10969989 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10969989 | 10.1016/s0960-894x(00)00366-8 | Endothelin-1 receptor | 1 |
| 10969989 | 10.1016/s0960-894x(00)00366-8 | Endothelin receptor type B | 1 |
| 10969989 | 10.1016/s0960-894x(00)00366-8 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine