Compound Detail
CHEMBL220081
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
Basic Information
| ChEMBL ID | CHEMBL220081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBEJLDNYKPUPTI-NVXWUHKLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
3.85
ALogP
4
HBA
0
HBD
55.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 600.0 | nM | 6.22 | Negative inotropic activity assessed as decrease in developed tension in isolate... | 17228875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17228875 | 10.1021/jm060878m | NON-PROTEIN TARGET | 4 |
| 17228875 | 10.1021/jm060878m | Aorta | 1 |
Data from ChEMBL 36 via Core Engine