Compound Detail
CHEMBL4562189
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Basic Information
| ChEMBL ID | CHEMBL4562189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKUFTGMFORIVAP-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
527.5
MW (Da)
4.59
ALogP
8
HBA
2
HBD
119.9
PSA (Ų)
0.39
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL252 | IC50 | 7.58 | 7.44 | 26.0 | 2 |
| Endothelin receptor type B CHEMBL1785 | IC50 | 6.04 | 6.04 | 914.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | IC50 | = | 26.0 | nM | 7.58 | Antagonist activity at ETA receptor (unknown origin) | 27321813 |
| Endothelin-1 receptor | IC50 | = | 50.0 | nM | 7.3 | Displacement of 125I-ET1 from human placenta cell membrane ETA receptor expresse... | 27321813 |
| Endothelin receptor type B | IC50 | = | 914.0 | nM | 6.04 | Antagonist activity at ETB receptor (unknown origin) | 27321813 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27321813 | 10.1016/j.bmcl.2016.06.014 | Endothelin-1 receptor | 2 |
| 27321813 | 10.1016/j.bmcl.2016.06.014 | Endothelin receptor type B | 1 |
Data from ChEMBL 36 via Core Engine