Compound Detail
CHEMBL39171
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Basic Information
| ChEMBL ID | CHEMBL39171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEURUJDIFBUEKG-AERCQKQUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
4.66
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL252 | Ki | 4.95 | 4.95 | 11222.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | Ki | = | 11222.0 | nM | 4.95 | Inhibition of [125I]ET1 binding to cloned human ET-A receptor | 8201588 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8201588 | 10.1021/jm00037a003 | Endothelin receptor type B | 2 |
| 8201588 | 10.1021/jm00037a003 | Endothelin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine