Compound Detail
CHEMBL177373
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
Cc1ccc(-c2c(NS(=O)(=O)c3cccc4ccccc34)ncnc2OCCOc2ncc(Br)cn2)cc1.O
Basic Information
| ChEMBL ID | CHEMBL177373 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHGKPGKEEVXFLY-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1181549 |
| Active Moiety | CHEMBL1181549 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
592.5
MW (Da)
5.42
ALogP
8
HBA
1
HBD
116.2
PSA (Ų)
0.23
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL4130 | IC50 | 7.66 | 7.66 | 22.0 | 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 | In vitro inhibition of [125I]ET1 binding to Endothelin A receptor in porcine aor... | 11585441 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11585441 | 10.1021/jm0102304 | Endothelin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine