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Compound InformationSONAR Target prediction
Name:

Podophyllotoxin

Unique Identifier:LOPAC 00066
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22H22O8
Molecular Weight:392.231 g/mol
X log p:10.107  (online calculus)
Lipinksi Failures1
TPSA72.45
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:4
Canonical Smiles:COc1cc(cc(OC)c1OC)C1C2C(COC2=O)C(O)c2cc3OCOc3cc12
Class:Cytoskeleton and ECM
Action:Inhibitor
Generic_name:Podofilox
Chemical_iupac_name:5,8,8a,9-Tetrahydro-9-hydroxy-5- (3,4,5-trimethoxylphenyl)furo [3-,4-:6,7] naphtho
[2,3,d] -1,3-dioxol- 6(5aH)-one
Drug_type:Approved Drug
Pharmgkb_id:PA450993
Kegg_compound_id:C10871
Drugbank_id:APRD01189
Melting_point:228 oC
H2o_solubility:100 mg/L
Logp:2.317
Cas_registry_number:477-47-4
Drug_category:Antimitotic agent; Antineoplastic Agents, Phytogenic; Keratolytic Agents
Indication:For treatment of external genital warts (Condyloma acuminatum).
Pharmacology:Podofilox, also called podophyllotoxin, is a purer and more stable form of
podophyllin in which only the biologically active portion of the compound is
present. Podofilox is used to remove certain types of warts on the outside skin of
the genital areas.
Mechanism_of_action:The exact mechanism of action is unknown.
Organisms_affected:Condyloma acuminatum

Found: 24 nonactive as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: BY4741
Replicates: 8
Raw OD Value: r im 0.7966±0.0461117
Normalized OD Score: sc h 0.9977±0.0132991
Z-Score: -0.1020±0.431226
p-Value: 0.891922
Z-Factor: -12.3745
Fitness Defect: 0.1144
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:12|E9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.80 Celcius
Date:2005-04-07 YYYY-MM-DD
Plate CH Control (+):0.04828125±0.00201
Plate DMSO Control (-):0.7658250000000002±0.03188
Plate Z-Factor:0.8701
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DBLink | Rows returned: 142 3 Next >> 
4865
10607
72435
105111
443013
1549055

internal high similarity DBLink | Rows returned: 2
SPE01504410 1.0000
SPE02300332 1.0000

active | Cluster 2906 | Additional Members: 14 | Rows returned: 0

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