Compound Detail
CHEMBL254549
CASSYTHINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL254549 |
| Name | CASSYTHINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZXIOJQNDYKPCE-LBPRGKRZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
2.55
ALogP
6
HBA
2
HBD
69.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aorta CHEMBL613606 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aorta | IC50 | = | 90.0 | nM | 7.05 | Vasorelaxation activity in Sprague-Dawley rat aortic assessed as inhibition of p... | 18217715 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18217715 | 10.1021/np070564h | Aorta | 1 |
Data from ChEMBL 36 via Core Engine