Compound Detail
CHEMBL106684
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Basic Information
| ChEMBL ID | CHEMBL106684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZDIAVKCLFSBME-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
4.54
ALogP
5
HBA
2
HBD
98.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL252 | Ki | 8.33 | 8.33 | 4.7 | 1 |
| Endothelin-1 receptor CHEMBL4566 | Ki | 8.33 | 8.33 | 4.7 | 1 |
| Endothelin receptor type B CHEMBL4631 | Ki | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | Ki | = | 4.7 | nM | 8.33 | Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thora... | 9857090 |
| Endothelin-1 receptor | Ki | = | 4.7 | nM | 8.33 | Inhibition of Human Endothelin A receptor expressed in CHO Cells. | 10956219 |
| Endothelin receptor type B | Ki | = | 1700.0 | nM | 5.77 | Ability to inhibit binding of [125I]-ET-1 to membranes prepared from A10 rat cer... | 9857090 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9857090 | 10.1021/jm970872k | Endothelin-1 receptor | 2 |
| 9857090 | 10.1021/jm970872k | Endothelin receptor type B | 1 |
| 10956219 | 10.1021/jm000105c | Endothelin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine