Compound Detail
CHEMBL416019
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Basic Information
| ChEMBL ID | CHEMBL416019 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFCHYHCFMYNCBT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
4.29
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL252 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | IC50 | = | 23000.0 | nM | 4.64 | Compound was evaluated for the receptor binding activity in rabbit artery vascul... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00232-6 | Endothelin-1 receptor | 1 |
| - | 10.1016/0960-894X(96)00232-6 | Endothelin receptor type B | 1 |
Data from ChEMBL 36 via Core Engine