Compound Detail
CHEMBL2296899
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Basic Information
| ChEMBL ID | CHEMBL2296899 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZCPERJVDUPGST-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
4.02
ALogP
6
HBA
1
HBD
85.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL4566 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Endothelin receptor type B CHEMBL4631 | IC50 | 6.03 | 6.03 | 930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | IC50 | = | 23.0 | nM | 7.64 | Displacement of [125I]ET-1 from ETA receptor in Sprague-Dawley Rattus norvegicus... | - |
| Endothelin receptor type B | IC50 | = | 930.0 | nM | 6.03 | Displacement of [125I]ET-1 from ETB receptor in Sprague-Dawley Rattus norvegicus... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-013-0542-3 | Endothelin-1 receptor | 2 |
| - | 10.1007/s00044-013-0542-3 | Unchecked | 1 |
| - | 10.1007/s00044-013-0542-3 | Endothelin receptor type B | 1 |
Data from ChEMBL 36 via Core Engine