Compound Detail
CHEMBL304778
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Basic Information
| ChEMBL ID | CHEMBL304778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TTZWTGSBTVOGHQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
424.4
MW (Da)
3.31
ALogP
7
HBA
1
HBD
100.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL252 | Ki | 8.15 | 8.15 | 7.0 | 1 |
| Endothelin receptor type B CHEMBL1785 | Ki | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | Ki | = | 7.0 | nM | 8.15 | Binding affinity towards human Endothelin A receptor by measuring its ability to... | 8667356 |
| Endothelin receptor type B | Ki | = | 2500.0 | nM | 5.6 | Binding affinity towards human Endothelin B receptor by measuring its ability to... | 8667356 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8667356 | 10.1021/jm960274q | Endothelin-1 receptor | 1 |
| 8667356 | 10.1021/jm960274q | Endothelin receptor type B | 1 |
Data from ChEMBL 36 via Core Engine