PODOFILOX


Trade Names	CONDYLOX PODOFILOX
Synonyms	Condyline Condylox NSC-24818 Podofilox Podophyllotoxin Warticon
Status
Molecule Category	Free-form
UNII	L36H50F353
EPA CompTox	DTXSID3045645


InChI Key	YJGVMLPVUAXIQN-XVVDYKMHSA-N
Smiles	COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC
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

Property Name	Value
Molecular Formula	C22H22O8
Molecular Weight	414.41
AlogP	2.41
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	92.68
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	30.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	-	-	-	-9.54-8.74
Enzyme Isomerase	-	-	-	-	26.86-30
Structural protein	-	260-830	600	-	34-93.9
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 1	-	14	-	-	-
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	63.87-95.19

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Bos taurus	-	460-830	-	-	7-93.9
Cercopithecidae	-	29	-	-	-
Chlorocebus sabaeus	-	16-23	-	-	-
Cricetulus griseus	-	-	-	-	63.87-95.19
Electrophorus electricus	-	-	-	-	8.74
Equus caballus	-	-	-	-
Homo sapiens	2.97-16.5	0.1-780	54	270	26.86-96.32
Human herpesvirus 1	-	50	-	-	-
Human immunodeficiency virus 1	2.9	-	-	-	-
Murid herpesvirus 1	-	-	-	-	74
Mus musculus	21-250	5.9-84	-	-	-
Ovis aries	-	-	300	-	-
Paracentrotus lividus	20-500	-	-	-	-
Plasmodium falciparum K1	12	-	-	-	-
Rattus norvegicus	9-17	1-150	-	-	-
Sindbis virus	-	-	-	-	3
Sus scrofa	-	350-780	600	-	50.19-78
Vesicular stomatitis virus	-	100	-	-	-

Header

Compound Name

Maximum Phase

Compound Structure

Smile

Inchi

InchiKey

Compound Properties

Molecular Formula

Molecular Weight

ALogP

PSA

Resources	Reference
ChEBI	50305
ChEMBL	CHEMBL61
DrugBank	DB01179
DrugCentral	3481
FDA SRS	L36H50F353
Human Metabolome Database	HMDB0015310
KEGG	C10874
PDB	POD
PharmGKB	PA450993
PubChem	10607
SureChEMBL	SCHEMBL42243
ZINC	ZINC000003861806

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

PODOFILOX

Structure

Physicochemical Descriptors

Pharmacology

Related Entries

Cross References