Compound Detail
CHEMBL450047
CASSUMUNIN B Enter ChEMBL ID:
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COc1cc(/C=C/C(=O)CC(=O)/C=C/c2cc(OC)c(O)c(C(C)/C=C/c3cc(OC)c(OC)cc3OC)c2)ccc1O
Basic Information
| ChEMBL ID | CHEMBL450047 |
| Name | CASSUMUNIN B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSVGYHVNJVVGFN-UQYOVKQCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
588.6
MW (Da)
6.21
ALogP
9
HBA
2
HBD
120.8
PSA (Ų)
0.17
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thymocyte CHEMBL613302 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thymocyte | IC50 | = | 220.0 | nM | 6.66 | Inhibition of H2O2-induced cell death of rat thymocyte assessed as cell viabilit... | 9599258 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9599258 | 10.1021/np970555g | Thymocyte | 1 |
Data from ChEMBL 36 via Core Engine