GALIDESIVIR

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Search structure


Synonyms	BCX-4430 BCX4430 Bcx4430 Galidesivir Immucillin a
Status
Molecule Category	UNKNOWN
UNII	OLF97F86A7


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

Structure


InChI Key	AMFDITJFBUXZQN-KUBHLMPHSA-N
Smiles	Nc1ncnc2c([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)c[nH]c12
InChI	InChI=1S/C11H15N5O3/c12-11-8-6(14-3-15-11)4(1-13-8)7-10(19)9(18)5(2-17)16-7/h1,3,5,7,9-10,13,16-19H,2H2,(H2,12,14,15)/t5-,7+,9-,10+/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C11H15N5O3
Molecular Weight	265.27
AlogP	-1.73
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	6.0
Number of Rotational Bond	2.0
Polar Surface Area	140.31
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	19.0

Bioactivity

Mechanism of Action	Action	Reference
Genome polyprotein inhibitor	INHIBITOR	PubMed PubMed PubMed PubMed ClinicalTrials

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Transferase	-	-	-	2600	-

Assay Description	Organism	Bioactivity	Reference
Inhibition of RNA-dependent RNA polymerase in Zika virus PRVABC-59 infected in African green monkey Vero cells assessed as antiviral activity by neutral dye based colorimetric method	Zika virus	3.8 ug.mL-1
Inhibition of RNA-dependent RNA polymerase in Zika virus PRVABC-59 infected in human HuH7 cells assessed as antiviral activity by neutral dye based colorimetric method	Zika virus	3.8 ug.mL-1
Inhibition of RNA-dependent RNA polymerase in Zika virus PRVABC-59 infected in human RD cells assessed as antiviral activity by neutral dye based colorimetric method	Zika virus	3.8 ug.mL-1
Inhibition of RNA-dependent RNA polymerase in Zika virus Malaysian P 6-740 infected in African green monkey Vero cells assessed as antiviral activity by neutral dye based colorimetric method	Zika virus	3.8 ug.mL-1
Inhibition of RNA-dependent RNA polymerase in Zika virus Malaysian P 6-740 infected in human Huh-7 cells assessed as antiviral activity by neutral dye based colorimetric method	Zika virus	3.8 ug.mL-1
Inhibition of RNA-dependent RNA polymerase in Zika virus Ugandan MR-766 infected in African green monkey Vero cells assessed as antiviral activity by neutral dye based colorimetric method	Zika virus	3.8 ug.mL-1
Inhibition of RNA-dependent RNA polymerase in Zika virus Ugandan MR-766 infected in human Huh-7 cells assessed as antiviral activity by neutral dye based colorimetric method	Zika virus	3.8 ug.mL-1
Inhibition of RNA-dependent RNA polymerase in Zika virus Ugandan MR-766 infected in human RD cells assessed as antiviral activity by neutral dye based colorimetric method	Zika virus	3.8 ug.mL-1
Inhibition of human PNP using inosine as substrate by xanthine oxidase coupled assay	Homo sapiens	33.0 nM

Cross References

Resources	Reference
ChEMBL	CHEMBL1236524
DrugBank	DB11676
FDA SRS	OLF97F86A7
PDB	UA2
PubChem	10445549
SureChEMBL	SCHEMBL12468816
ZINC	ZINC000013492903

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).