Compound Detail
CHEMBL30039
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Basic Information
| ChEMBL ID | CHEMBL30039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZROYYHDKAAJDKF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
2.83
ALogP
5
HBA
2
HBD
98.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL4566 | IC50 | 6.82 | 6.11 | 150.0 | 2 |
| Endothelin-1 receptor CHEMBL252 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | IC50 | = | 150.0 | nM | 6.82 | Inhibition of [125I]endothelin-l binding to endothelin A receptor of rat thoraci... | 7861414 |
| Endothelin-1 receptor | IC50 | = | 4000.0 | nM | 5.4 | Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smo... | 7731020 |
| Endothelin-1 receptor | IC50 | = | 4000.0 | nM | 5.4 | Ability to inhibit [125I]ET1 binding to vascular smooth muscle (vsm)- A10 cells | 8308857 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8308857 | 10.1021/jm00029a001 | Endothelin-1 receptor | 2 |
| 7731020 | 10.1021/jm00008a013 | Endothelin-1 receptor | 1 |
| 7731020 | 10.1021/jm00008a013 | Oryctolagus cuniculus | 1 |
| 7861414 | 10.1021/jm00004a012 | Endothelin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine