ETOPOSIDE PHOSPHATE

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII 528XYJ8L1N
Parent Compound: ETOPOSIDE

Structure

InChI Key LIQODXNTTZAGID-OCBXBXKTSA-N
Smiles COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OP(=O)(O)O
InChI
InChI=1S/C29H33O16P/c1-11-38-9-20-27(42-11)23(30)24(31)29(43-20)44-25-14-7-17-16(40-10-41-17)6-13(14)21(22-15(25)8-39-28(22)32)12-4-18(36-2)26(19(5-12)37-3)45-46(33,34)35/h4-7,11,15,20-25,27,29-31H,8-10H2,1-3H3,(H2,33,34,35)/t11-,15+,20-,21-,22+,23-,24-,25-,27-,29+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H33O16P
Molecular Weight 668.54
AlogP 1.1
Hydrogen Bond Acceptor 14.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 207.36
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 46.0

Pharmacology

Mechanism of Action Action Reference
DNA topoisomerase II alpha inhibitor INHIBITOR DailyMed Wikipedia

Target Conservation

Protein: DNA topoisomerase II alpha
Description: DNA topoisomerase 2-alpha
Organism : Homo sapiens
P11388 ENSG00000131747

Cross References

Resources Reference
ChEBI 135867
ChEMBL CHEMBL1200645
DrugCentral 3944
FDA SRS 528XYJ8L1N
PubChem 6918092
SureChEMBL SCHEMBL13318053
ZINC ZINC000003920020
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