Compound Detail
CHEMBL332471
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 | CHEMBL332471 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCXNJFBONDLQBP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
2.16
ALogP
5
HBA
1
HBD
75.4
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL252 | IC50 | 4.08 | 4.08 | 84000.0 | 1 |
| Endothelin-1 receptor CHEMBL4566 | IC50 | 4.08 | 4.08 | 84000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | IC50 | = | 84000.0 | nM | 4.08 | Inhibition of [125I]endothelin-l binding to endothelin A receptor of rat thoraci... | 7861414 |
| Endothelin-1 receptor | IC50 | = | 84000.0 | nM | 4.08 | Ability to inhibit [125I]ET1 binding to vascular smooth muscle (vsm)- A10 cells | 8308857 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7861414 | 10.1021/jm00004a012 | Endothelin-1 receptor | 1 |
| 8308857 | 10.1021/jm00029a001 | Endothelin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine