Compound Detail
CHEMBL303902
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Basic Information
| ChEMBL ID | CHEMBL303902 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJRKLVXQXHHVNX-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
3.71
ALogP
6
HBA
1
HBD
75.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.66
Kd 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL4566 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| Endothelin-1 receptor CHEMBL252 | Kd | 7.5 | 7.5 | 31.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | IC50 | = | 22.0 | nM | 7.66 | Inhibition of [125I]ET1 binding to rat aorta membrane Endothelin A receptor | 9871621 |
| Endothelin-1 receptor | Kd | = | 31.62 | nM | 7.5 | pA2 value towards endothelin receptor A was determined as functional ETA antagon... | 9871621 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871621 | 10.1016/s0960-894x(97)10151-2 | Endothelin-1 receptor | 2 |
| 9871621 | 10.1016/s0960-894x(97)10151-2 | Endothelin receptor type B | 1 |
| - | 10.6019/CHEMBL5441142 | Schistosoma mansoni | 1 |
Data from ChEMBL 36 via Core Engine