GANCICLOVIR SODIUM


Trade Names	CYTOVENE GANCICLOVIR SODIUM
Synonyms	Cytovene Cytovene iv Ganciclovir Ganciclovir (as sodium) Ganciclovir sodium Ganciclovir sodium salt RS-21592 SODIUM
Status
Molecule Category	Salt-form
UNII	02L083W284
EPA CompTox	DTXSID20883175
Parent Compound:	GANCICLOVIR


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	JJICLMJFIKGAAU-UHFFFAOYSA-M
Smiles	Nc1nc([O-])c2ncn(COC(CO)CO)c2n1.[Na+]
InChI	InChI=1S/C9H13N5O4.Na/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16;/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17);/q;+1/p-1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C9H12N5NaO4
Molecular Weight	277.22
AlogP	-1.56
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	5.0
Polar Surface Area	139.54
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	18.0

Bioactivity

Mechanism of Action	Action	Reference
Human herpesvirus 1 DNA polymerase inhibitor	INHIBITOR	DailyMed

Cross References

Resources	Reference
ChEMBL	CHEMBL1200850
FDA SRS	02L083W284
KEGG	D00333
PubChem	23700083
SureChEMBL	SCHEMBL149822
ZINC	ZINC00001505

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).