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Compound Detail

CHEMBL329250

6,7-O,O-DEMETHYLENEPODOPHYLLOTOXIN
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COc1cc([C@@H]2c3cc(O)c(O)cc3[C@H](O)[C@H]3COC(=O)[C@H]23)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL329250
Name 6,7-O,O-DEMETHYLENEPODOPHYLLOTOXIN
Phase Preclinical
Structure Type MOL
InChI Key AIEQNTGIFXFNRB-BTINSWFASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

402.4
MW (Da)
2.09
ALogP
8
HBA
3
HBD
114.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H22O8
MW 402.40
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 1.68

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)10072-5 Mus musculus 28
23278333 10.1021/jf305011n Mythimna separata 3
- 10.1016/S0960-894X(97)10072-5 NON-PROTEIN TARGET 2
21570846 10.1016/j.bmcl.2011.04.036 HeLa 1
21570846 10.1016/j.bmcl.2011.04.036 KB 1

Data from ChEMBL 36 via Core Engine