GS-441524 monophosphate (CHEBI:150866)

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CHEBI:150866 - GS-441524 monophosphate

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ChEBI ID	CHEBI:150866
ChEBI Name	GS-441524 monophosphate
Stars
Definition	A C-nucleoside phosphate that is GS-441524 in which the 5'-hydroxy group has been replaced by a phosphate group. In cells, GS-441524 monophosphate gets converted into the pharmacologically active triphosphate form (GS-443902).
Last Modified	3 June 2020
Submitter	Margaret Duesbury
Downloads	Molfile

Formula	C12H14N5O7P
Net Charge	0
Average Mass	371.246
Monoisotopic Mass	371.06308
SMILES	N#C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O
InChI	InChI=1S/C12H14N5O7P/c13-4-12(8-2-1-6-11(14)15-5-16-17(6)8)10(19)9(18)7(24-12)3-23-25(20,21)22/h1-2,5,7,9-10,18-19H,3H2,(H2,14,15,16)(H2,20,21,22)/t7-,9-,10-,12+/m1/s1
InChIKey	ZBHOHJWLOOFLMW-LTGWCKQJSA-N

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:	anticoronaviral agent Any antiviral agent which inhibits the activity of coronaviruses. antiviral drug A substance used in the prophylaxis or therapy of virus diseases. drug metabolite
Application:	antiviral drug A substance used in the prophylaxis or therapy of virus diseases.

ChEBI Ontology

Outgoing Relation(s)
	GS-441524 monophosphate (CHEBI:150866) has functional parent GS-441524 (CHEBI:147281)
	GS-441524 monophosphate (CHEBI:150866) has role anticoronaviral agent (CHEBI:149553)
	GS-441524 monophosphate (CHEBI:150866) has role antiviral drug (CHEBI:36044)
	GS-441524 monophosphate (CHEBI:150866) has role drug metabolite (CHEBI:49103)
	GS-441524 monophosphate (CHEBI:150866) is a C-nucleoside phosphate (CHEBI:37040)
	GS-441524 monophosphate (CHEBI:150866) is a aromatic amine (CHEBI:33860)
	GS-441524 monophosphate (CHEBI:150866) is a nitrile (CHEBI:18379)
	GS-441524 monophosphate (CHEBI:150866) is a pyrrolotriazine (CHEBI:88341)

IUPAC Name
[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate

Synonyms	Source
GS-441524 monophosphate	ChEBI
remdesivir monophosphate	ChEBI
RDV-MP	ChEBI

Manual Xrefs	Databases
F86	PDBeChem

Citations