Details of the Drug

General Information of Drug (ID: DMT2EJP)

Drug Name

Podofilox

Synonyms

podophyllotoxin; 518-28-5; Condylox; Condyline; Wartec; Podophyllotoxin 7; Podophyllinic acid lactone; Warticon; (-)-Podophyllotoxin; Podofilox [USAN]; CCRIS 565; UNII-L36H50F353; Podophyllotoxin, 95%; HSDB 7238; NSC24818; CHEMBL61; EINECS 208-250-4; NSC 24818; (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; MLS000069495; AI3-50456; CHEBI:50305; Podofilox (USAN); L36H50F353; Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one,; Podophyllotoxin

Indication

Disease Entry	ICD 11	Status	REF
Condyloma	1A95	Approved	[1]
External genital and perianal wart	1A95	Approved	[1]
Verruca vulgaris	1E80	Approved	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

414.4

Topological Polar Surface Area (xlogp)

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Half-life: The concentration or amount of drug in body reduced by one-half in 1.0 - 4.5 hours [2]

Chemical Identifiers

Formula: C22H22O8
IUPAC Name: (5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O
InChI: 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

Cross-matching ID

PubChem CID: 10607
ChEBI ID: CHEBI:50305
CAS Number: 518-28-5
DrugBank ID: DB01179
TTD ID: D0D4HN
INTEDE ID: DR1310
ACDINA ID: D01348

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
DNA topoisomerase II (TOP2)	TT0IHXV	TOP2A_HUMAN; TOP2B_HUMAN	Modulator	[3], [4]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)	DE4LYSA	CP3A4_HUMAN	Substrate	[5]
Mephenytoin 4-hydroxylase (CYP2C19)	DEGTFWK	CP2CJ_HUMAN	Substrate	[5]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Lactic acid	E00020	612	Acidulant
Ethanol	E00023	702	Antimicrobial preservative; Penetration agent; Solvent
Sodium alpha-hydroxypropionate	E00553	23666456	Antimicrobial preservative; Buffering agent; Emulsifying agent; Flavoring agent; Humectant
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Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Podofilox 0.5% solution	0.50%	Solution	Topical

Jump to Detail Pharmaceutical Formulation Page of This Drug

References

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22	A mechanistic approach to antiepileptic drug interactions. Ann Pharmacother. 1998 May;32(5):554-63.
23	Organic anion-transporting polypeptide B (OATP-B) and its functional comparison with three other OATPs of human liver. Gastroenterology. 2001 Feb;120(2):525-33.
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