Compound Detail
CHEMBL303631
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Basic Information
| ChEMBL ID | CHEMBL303631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIDBNMYTUQUADA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
3.22
ALogP
6
HBA
1
HBD
90.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL252 | Ki | 9.92 | 9.92 | 0.1 | 1 |
| Endothelin receptor type B CHEMBL1785 | Ki | 7.71 | 7.625 | 19.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | Ki | = | 0.12 | nM | 9.92 | Binding affinity towards human Endothelin A receptor by measuring its ability to... | 8667356 |
| Endothelin receptor type B | Ki | = | 19.7 | nM | 7.71 | Binding affinity towards human Endothelin B receptor by measuring its ability to... | 8667356 |
| Endothelin receptor type B | Ki | = | 29.0 | nM | 7.54 | Binding affinity towards Endothelin B receptor by measuring its ability to displ... | 8667356 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8667356 | 10.1021/jm960274q | Endothelin receptor type B | 2 |
| 8667356 | 10.1021/jm960274q | Endothelin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine