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Compound InformationSONAR Target prediction
Name:

FAMCICLOVIR

Unique Identifier:SPE01505201
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:302.181 g/mol
X log p:3.329  (online calculus)
Lipinksi Failures0
TPSA92.92
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:9
Rotatable Bond Count:9
Canonical Smiles:CC(=O)OCC(CCn1cnc2cnc(N)nc12)COC(C)=O
Source:synthetic
Therapeutics:antiviral
Generic_name:Famciclovir
Chemical_iupac_name:[2-(acetyloxymethyl)-4-(2-aminopurin-9-yl)-butyl] acetate
Drug_type:Approved Drug
Pharmgkb_id:PA449585
Kegg_compound_id:D00317
Drugbank_id:APRD00600
Melting_point:102-104 oC
Logp:1.566
Cas_registry_number:104227-87-4
Drug_category:Prodrugs; Antivirals; Nucleosides and Nucleotides; ATC:J05AB09; ATC:S01AD07
Indication:For the treatment of acute herpes zoster (shingles). Also for the treatment or
suppression of recurrent genital herpes in immunocompetent patients and treatment of
recurrent mucocutaneous herpes simplex infections in HIV infected patients.
Pharmacology:Famciclovir is a prodrug that undergoes rapid biotransformation to the active
antiviral compound penciclovir. Penciclovir is an anti-viral drug which has
inhibitory activity against herpes simplex virus types 1 (HSV-1) and 2 (HSV-2) and
varicella zoster virus (VZV). Therefore, herpes viral DNA synthesis and replication
are selectively inhibited.
Mechanism_of_action:Famciclovir undergoes rapid biotransformation to the active antiviral compound
penciclovir, which has inhibitory activity against herpes simplex virus types 1
(HSV-1) and 2 (HSV-2) and varicella zoster virus (VZV). In cells infected with
HSV-1, HSV-2 or VZV, viral thymidine kinase phosphorylates penciclovir to a
monophosphate form that, in turn, is converted to penciclovir triphosphate by
cellular kinases. In vitro studies demonstrate that penciclovir triphosphate
inhibits HSV-2 DNA polymerase competitively with deoxyguanosine triphosphate.
Consequently, herpes viral DNA synthesis and, therefore, replication are selectively
inhibited.
Organisms_affected:Human Herpes Virus

Found: 205 nonactive as graph: single | with analogs [1] << Back 171 172 173 174 175 176 177 178 179 180  Next >> [205]
Species: 4932
Condition: ROT2
Replicates: 2
Raw OD Value: r im 0.8141±0.00233345
Normalized OD Score: sc h 0.9888±0.0000360498
Z-Score: -0.5279±0.00566449
p-Value: 0.59756
Z-Factor: -18.1113
Fitness Defect: 0.5149
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:20|G5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.40 Celcius
Date:2006-05-05 YYYY-MM-DD
Plate CH Control (+):0.039400000000000004±0.00240
Plate DMSO Control (-):0.8128±0.01878
Plate Z-Factor:0.9194
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DBLink | Rows returned: 1
3324 [2-(acetyloxymethyl)-4-(2-aminopurin-9-yl)butyl] acetate

internal high similarity DBLink | Rows returned: 0

active | Cluster 6376 | Additional Members: 1 | Rows returned: 0

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