Compound Detail
CHEMBL455777
RUTAECARPANE 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 | CHEMBL455777 |
| Name | RUTAECARPANE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSDMJXYYBOFOEA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
275.4
MW (Da)
3.65
ALogP
2
HBA
2
HBD
31.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aorta CHEMBL613606 | EC50 | 4.7 | 4.7 | 20100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aorta | EC50 | = | 20100.0 | nM | 4.7 | Vasodilative activity against KCl-precontracted Sprague-Dawley rat thoracic aort... | 19254847 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19254847 | 10.1016/j.bmc.2009.02.015 | Aorta | 2 |
Data from ChEMBL 36 via Core Engine