Compound Detail
CHEMBL26522
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 | CHEMBL26522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTIZWYZGXKZSHV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
270.3
MW (Da)
2.23
ALogP
4
HBA
1
HBD
72.2
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL4566 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Endothelin-1 receptor CHEMBL252 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
| Endothelin receptor type B CHEMBL1785 | IC50 | 4.24 | 4.24 | 57000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | IC50 | = | 1000.0 | nM | 6.0 | Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smo... | 7731020 |
| Endothelin-1 receptor | IC50 | = | 6700.0 | nM | 5.17 | Binding affinity against human Endothelin A receptor in TE 671(ATCC# HTB 139) ce... | - |
| Endothelin receptor type B | IC50 | = | 57000.0 | nM | 4.24 | Binding affinity against human Endothelin B receptor in transfected COS 7 cell m... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00441-6 | Endothelin-1 receptor | 1 |
| - | 10.1016/0960-894X(96)00441-6 | Endothelin receptor type B | 1 |
| 7731020 | 10.1021/jm00008a013 | Endothelin-1 receptor | 1 |
| 7731020 | 10.1021/jm00008a013 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine