| Compound Information | SONAR 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 Failures | 0 |
| TPSA | 92.92 |
| 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 |
| ps |
| 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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