Compound Detail
CHEMBL357580
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Basic Information
| ChEMBL ID | CHEMBL357580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKGIOCXEAJIYNE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
3.67
ALogP
6
HBA
1
HBD
115.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL4566 | Ki | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | Ki | = | 140.0 | nM | 6.85 | Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thora... | 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 |
Data from ChEMBL 36 via Core Engine