Compound Detail
CHEMBL11131
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 | CHEMBL11131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDCJODJPKKXXTB-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
3.81
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL252 | IC50 | 6.22 | 6.11 | 600.0 | 3 |
| Endothelin receptor type B CHEMBL4631 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
| Endothelin receptor type B CHEMBL1785 | IC50 | 4.52 | 4.52 | 30000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | IC50 | = | 600.0 | nM | 6.22 | Antagonistic activity against human Endothelin A receptor expressed in LtK | 7731010 |
| Endothelin-1 receptor | IC50 | = | 600.0 | nM | 6.22 | Binding affinity against human cloned endothelin A receptor expressed in LTK-cel... | 9089328 |
| Endothelin-1 receptor | IC50 | = | 1300.0 | nM | 5.89 | Tested for antagonistic activity against Endothelin A receptor in the rabbit ren... | 7731010 |
| Endothelin receptor type B | IC50 | = | 22000.0 | nM | 4.66 | Tested for antagonistic activity against Endothelin B receptor in the rat cerebe... | 7731010 |
| Endothelin receptor type B | IC50 | = | 30000.0 | nM | 4.52 | Tested for antagonistic activity against Endothelin B receptor in human (CHO exp... | 7731010 |
| Endothelin receptor type B | IC50 | = | 30000.0 | nM | 4.52 | Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 ... | 9089328 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7731010 | 10.1021/jm00008a002 | Endothelin-1 receptor | 2 |
| 7731010 | 10.1021/jm00008a002 | Endothelin receptor type B | 2 |
| 9089328 | 10.1021/jm9606507 | Endothelin-1 receptor | 1 |
| 9089328 | 10.1021/jm9606507 | Endothelin receptor type B | 1 |
Data from ChEMBL 36 via Core Engine