Compound Detail
CHEMBL330679
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Basic Information
| ChEMBL ID | CHEMBL330679 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFRUKNFJQPSBDV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
492.6
MW (Da)
5.71
ALogP
6
HBA
3
HBD
121.7
PSA (Ų)
0.25
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL4566 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Endothelin receptor type B CHEMBL4631 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | IC50 | = | 7.0 | nM | 8.15 | In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor. | 9667964 |
| Endothelin receptor type B | IC50 | = | 3000.0 | nM | 5.52 | In vitro inhibition of [125I]ET1 binding to rat cerebellum Endothelin B receptor... | 9667964 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9667964 | 10.1021/jm9707131 | Endothelin-1 receptor | 1 |
| 9667964 | 10.1021/jm9707131 | Endothelin receptor type B | 1 |
| 9667964 | 10.1021/jm9707131 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine