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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL666
CHEMBL666
Compound Name FOSCARNET
ChEMBL Synonyms Foscavir | FOSCARNET SODIUM | EHB 776 | Dihydroxyphosphinecarboxylic Acid Oxide | Foscarnet
Max Phase 4 (Approved)
Trade Names FOSCARNET SODIUM | FOSCAVIR
Molecular Formula CH3O5P

Additional synonyms for CHEMBL666 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)P(=O)(O)O
Standard InChI InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)
Standard InChI Key ZJAOAACCNHFJAH-UHFFFAOYSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL666

Molecule Features

CHEMBL666 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:Y 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
Cytomegalovirus RetinitisD017726EFO:1001302Cytomegalovirus Retinitis3ClinicalTrials
ClinicalTrials
Graft vs Host DiseaseD006086EFO:0004599acute graft vs. host disease2ClinicalTrials
InfectionD007239EFO:0000544infection2ClinicalTrials
HIV InfectionsD015658EFO:0000764HIV infection1ClinicalTrials

Clinical Data

ClinicalTrials.gov FOSCARNET
The Cochrane Collaboration FOSCARNET

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
126 125.9718 -0.16 1 94.83 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 3 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
.78 - -1.9 -6.91 0 7 0.42

Structural Alerts

There are 3 structural alerts for CHEMBL666. To view alerts please click here.

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J05 - ANTIVIRALS FOR SYSTEMIC USE
J05A - DIRECT ACTING ANTIVIRALS
J05AD - Phosphonic acid derivatives
J05AD01 - foscarnet

ChemSpider ChemSpider:ZJAOAACCNHFJAH-UHFFFAOYSA-N
DailyMed foscarnet sodium
Wikipedia Foscarnet

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL666



ACToR 4428-95-9
BindingDB 50011181
Brenda 44136 12659
ChEBI 127780
DrugBank DB00529
DrugCentral 1241
EPA CompTox Dashboard DTXSID0048478
FDA SRS 364P9RVW4X
Guide to Pharmacology 5497
Human Metabolome Database HMDB0014670
IBM Patent System 425C7B1825B1E75625142C37C2332B8B
KEGG Ligand C06456
Nikkaji J11.016G
PDBe PPF
PharmGKB PA449706
PubChem 3415
PubChem: Thomson Pharma 15194456
SureChEMBL SCHEMBL23633
ZINC ZINC000008101109

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