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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL880
CHEMBL880
Compound Name FAMCICLOVIR
ChEMBL Synonyms FAMCICLOVIR | FAMVIR | BRL-42810
Max Phase 4 (Approved)
Trade Names FAMCICLOVIR | FAMVIR
Molecular Formula C14H19N5O4

Additional synonyms for CHEMBL880 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)OCC(CCn1cnc2cnc(N)nc12)COC(=O)C
Standard InChI InChI=1S/C14H19N5O4/c1-9(20)22-6-11(7-23-10(2)21)3-4-19-8-17 ...
Download InChI
Standard InChI Key GGXKWVWZWMLJEH-UHFFFAOYSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • Drugs for Neglected Diseases Initiative (DNDi)
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL880

Molecule Features

CHEMBL880 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:Y Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Human herpesvirus 1 DNA polymerase inhibitor Human herpesvirus 1 DNA polymerase DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Herpes LabialisD006560EFO:1001347Herpes Labialis4ClinicalTrials
DailyMed
DailyMed
DailyMed
Meniere DiseaseD008575EFO:0006862Meniere disease3ClinicalTrials
Virus DiseasesD014777EFO:0000763viral disease4ATC
Herpes GenitalisD006558EFO:0007282genital herpes4ClinicalTrials
DailyMed
DailyMed
DailyMed
Herpes ZosterD006562EFO:0006510Herpes Zoster4ClinicalTrials
DailyMed
DailyMed

Clinical Data

ClinicalTrials.gov FAMCICLOVIR
The Cochrane Collaboration FAMCICLOVIR

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL880. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL2360 Hypoxanthine-guanine phosphoribosyltransferase Homo sapiens 0.290

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
321.3 321.1437 0.54 7 122.22 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 1 0 9 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4 -.12 -.12 2 23 0.73

Structural Alerts

There are 4 structural alerts for CHEMBL880. To view alerts please click here.

Compound Cross References

ATC S - SENSORY ORGANS
S01 - OPHTHALMOLOGICALS
S01A - ANTIINFECTIVES
S01AD - Antivirals
S01AD07 - famciclovir

J - ANTIINFECTIVES FOR SYSTEMIC USE
J05 - ANTIVIRALS FOR SYSTEMIC USE
J05A - DIRECT ACTING ANTIVIRALS
J05AB - Nucleosides and nucleotides excl. reverse transcriptase inhibitors
J05AB09 - famciclovir

ChemSpider ChemSpider:GGXKWVWZWMLJEH-UHFFFAOYSA-N
DailyMed famciclovir
PubChem SID: 170464774 SID: 174006796 SID: 26719883 SID: 26748972
Wikipedia Famciclovir

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL880



ACToR 104227-87-4
ChEBI 4974
ChemicalBook CB0464901
DrugBank DB00426
DrugCentral 1128
eMolecules 901871
EPA CompTox Dashboard DTXSID0023038
FDA SRS QIC03ANI02
Human Metabolome Database HMDB0014570
IBM Patent System D7C1CE515A263EBFA06E73BEF778F539
LINCS LSM-2990
Mcule MCULE-6850246103
MolPort MolPort-003-666-602
NIH Clinical Collection SAM001246732
Nikkaji J435.369B
PharmGKB PA449585
PubChem 3324
PubChem: Drugs of the Future 12013946
PubChem: Thomson Pharma 14899331
Selleck Famciclovir(Famvir)
SureChEMBL SCHEMBL2949
ZINC ZINC000001530635

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/GGXKWVWZWMLJEH-UHFFFAOYSA-N spacer
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