Compound Detail
CHEMBL519603
DEOXYPICROPODOPHYLLIN Enter ChEMBL ID:
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COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL519603 |
| Name | DEOXYPICROPODOPHYLLIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGLXUQQMLLIKAN-CJMONDIMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
398.4
MW (Da)
2.92
ALogP
7
HBA
0
HBD
72.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Vesicular stomatitis virus CHEMBL613739 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 1 | IC50 | = | 2000.0 | nM | 5.7 | Antiviral activity against HSV1 infected in monkey CV-1 cells assessed as inhibi... | 9834179 |
| Vesicular stomatitis virus | IC50 | = | 2000.0 | nM | 5.7 | Antiviral activity against VSV infected in BHK cells assessed as inhibition of p... | 9834179 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8277312 | 10.1021/np50100a011 | NON-PROTEIN TARGET | 11 |
| 8277312 | 10.1021/np50100a011 | Artemia | 1 |
| 8277312 | 10.1021/np50100a011 | KB | 1 |
| 8277312 | 10.1021/np50100a011 | ZR-75-1 | 1 |
| 8277312 | 10.1021/np50100a011 | Lu1 | 1 |
| 8277312 | 10.1021/np50100a011 | LNCaP | 1 |
| 8277312 | 10.1021/np50100a011 | HT | 1 |
| 8277312 | 10.1021/np50100a011 | Col2 | 1 |
| 8277312 | 10.1021/np50100a011 | A-431 | 1 |
| 8277312 | 10.1021/np50100a011 | P388 | 1 |
| 14987061 | 10.1021/np030125s | MCF7 | 1 |
| 9834179 | 10.1021/np980136z | Vesicular stomatitis virus | 1 |
| 9834179 | 10.1021/np980136z | Human alphaherpesvirus 1 | 1 |
| 14987061 | 10.1021/np030125s | Neisseria gonorrhoeae | 1 |
| 14987061 | 10.1021/np030125s | NCI-H460 | 1 |
| 14987061 | 10.1021/np030125s | BXPC-3 | 1 |
| 14987061 | 10.1021/np030125s | KM-20L2 | 1 |
| 14987061 | 10.1021/np030125s | DU-145 | 1 |
| 14987061 | 10.1021/np030125s | SF-268 | 1 |
| 14987061 | 10.1021/np030125s | P388 | 1 |
Data from ChEMBL 36 via Core Engine