Compound Detail
CHEMBL104172
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Basic Information
| ChEMBL ID | CHEMBL104172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWBGYBQVMDWOBH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
4.72
ALogP
6
HBA
1
HBD
98.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 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 receptor type B CHEMBL1785 | Ki | 4.03 | 4.03 | 94000.0 | 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 | Inhibition of Human Endothelin A receptor expressed in CHO Cells. | 10956219 |
| Endothelin receptor type B | Ki | = | 94000.0 | nM | 4.03 | Inhibition of Human Endothelin B receptor expressed in CHO Cells. | 10956219 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10956219 | 10.1021/jm000105c | Endothelin-1 receptor | 1 |
| 10956219 | 10.1021/jm000105c | Oryctolagus cuniculus | 1 |
| 10956219 | 10.1021/jm000105c | Endothelin receptor type B | 1 |
Data from ChEMBL 36 via Core Engine