Compound Detail
CHEMBL483410
EPIPODOPHYLLOTOXIN ACETATE Enter ChEMBL ID:
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COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(C)=O)[C@H]3CSC(=O)[C@H]23)OCO4)cc(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL483410 |
| Name | EPIPODOPHYLLOTOXIN ACETATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXPVQLOKXOEZBD-QWIYEXKTSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
472.5
MW (Da)
3.70
ALogP
9
HBA
0
HBD
89.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vesicular stomatitis virus CHEMBL613739 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vesicular stomatitis virus | IC50 | = | 220.0 | nM | 6.66 | Antiviral activity against VSV infected in BHK cells assessed as inhibition of p... | 9834179 |
| Human alphaherpesvirus 1 | IC50 | = | 440.0 | nM | 6.36 | Antiviral activity against HSV1 infected in monkey CV-1 cells assessed as inhibi... | 9834179 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9834179 | 10.1021/np980136z | Human alphaherpesvirus 1 | 1 |
| 9834179 | 10.1021/np980136z | Vesicular stomatitis virus | 1 |
Data from ChEMBL 36 via Core Engine