Compound Detail
CHEMBL8671
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1ccc(NC(=O)N2C[C@@H](c3ccc4c(c3)OCO4)[C@H](C(=O)O)[C@H]2c2ccc(OC)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL8671 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWSUCRAODWFKKP-GVXSCFBNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
490.5
MW (Da)
4.51
ALogP
6
HBA
2
HBD
106.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL4566 | IC50 | 6.11 | 6.11 | 781.0 | 1 |
| Endothelin receptor type B CHEMBL3949 | IC50 | 5.42 | 5.42 | 3790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | IC50 | = | 781.0 | nM | 6.11 | Inhibitory activity against the Endothelin A receptor of rat MMQ cells | 8676339 |
| Endothelin receptor type B | IC50 | = | 3790.0 | nM | 5.42 | Inhibitory activity measured against Endothelin B receptor binding to porcine ce... | 8676339 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8676339 | 10.1021/jm9505369 | Endothelin-1 receptor | 1 |
| 8676339 | 10.1021/jm9505369 | Endothelin receptor type B | 1 |
Data from ChEMBL 36 via Core Engine