AT-9010

Category	SARS-CoV
CAS	1261253-79-5
Description	AT-9010 is a potent inhibitor of NiRAN which is a function essential for viral replication. AT-9010 can inhibit SARS-CoV-2 replication.

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Synonyms	(2'R)-2'-Deoxy-2'-fluoro-2'-methylguanosine 5'-(tetrahydrogen triphosphate)
IUPAC Name	[[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular Weight	539.20
Molecular Formula	C11H17FN5O13P3
Canonical SMILES	CC1(C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F
InChI	InChI=1S/C11H17FN5O13P3/c1-11(12)6(18)4(2-27-32(23,24)30-33(25,26)29-31(20,21)22)28-9(11)17-3-14-5-7(17)15-10(13)16-8(5)19/h3-4,6,9,18H,2H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)(H3,13,15,16,19)/t4-,6-,9-,11-/m1/s1
InChIKey	GFEXCNGIPRYQFE-GITKWUPZSA-N
Purity	>98.00%
Solubility	In vitro: 10 mM in DMSO
Appearance	Solid powder
Storage	Store at -20°C
Complexity	980
Exact Mass	539.00197477
In Vitro	A large number of active triphosphate metabolites AT-9010 are formed in normal human bronchial and nasal epithelial cells incubated with 10 μM AT-511 (698 μM and 236 μM, respectively) with a half-life of at least 38 h.
Target	SARS-CoV
XLogP3-AA	-5.4