Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1310)
Drug Name
Podophyllotoxin
Synonyms
Podofilox; Podofilox (USAN); Podofilox [USAN]; Podophyllinic acid lactone; Podophyllotoxin 7; Podophyllotoxin, 95%; Podophyllum; Wartec; Condyline; Condylox; L36H50F353; Warticon; podophyllotoxin; (-)-Podophyllotoxin; (5R,5aR,8aR,9R)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one; 4354-76-1; 518-28-5; AI3-50456; CCRIS 565; CHEBI:50305; CHEMBL61; EINECS 208-250-4; HSDB 7238; MFCD00075290; MLS000069495; NSC 24818; NSC24818; UNII-L36H50F353
Indication Anogenital warts [ICD11: 1A95] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 414.4 Topological Polar Surface Area 92.7
Heavy Atom Count 30 Rotatable Bond Count 4
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
10607
ChEBI ID
CHEBI:50305
CAS Number
518-28-5
TTD Drug ID
D0D4HN
Formula
C22H22O8
Canonical SMILES
COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O
InChI
1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1
InChIKey
YJGVMLPVUAXIQN-XVVDYKMHSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
Podophyllotoxin M1 PDM007288 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Podophyllotoxin M2 PDM007289 N. A. Conjugation - Sulfation of secondary alcohol 1 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[2]
References
1 Podophyllotoxin was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Characterization of in vitro metabolites of deoxypodophyllotoxin in human and rat liver microsomes using liquid chromatography/tandem mass spectrometry. Rapid Commun Mass Spectrom. 2008;22(1):52-8.

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