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Gene Set: D4 : TTD - INS-37217


Collection D4 : TTD
Chemical Name INS-37217 ( From PubChem : TETRASODIUM[[[[(3S,5R)-5-(4-AMINO-2-OXO-PYRIMIDIN-1-YL)-3-HYDROXY-TETRAHYDROFURAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL]OXY-HYDROXY-PHOSPHORYL]OXY-HYDROXY-PHOSPHORYL][(2R,3S,4R,5R)-5-(2,4-DIOXOPYRIMIDIN-1-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL]METHYL HYDROGEN PHOSPHATE )
FDA NPC WHO Indian Australia China Traditional
Herbal
Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight
Hydrogen Bond
Donor Count
Hydrogen Bond
Acceptor Count
cLogP Lipinski Rule
865.282 g/mol 9 25 -2.2909 False(1/4)
Structure
InChI InChI=1S/C18H27N5O21P4.4Na/c19-11-1-3-22(17(28)20-11)13-5-8(24)9(40-13)6-38-45(30,31)42-47(34,35)44-48(36,37)43-46(32,33)39-7-10-14(26)15(27)16(41-10)23-4-2-12(25)21-18(23)29;;;;/h1-4,8-10,13-16,24,26-27H,5-7H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H2,19,20,28)(H,21,25,29);;;;/q;4*+1/t8-,9?,10+,13+,14+,15+,16+;;;;/m0..../s1
InChIKey PASYJVRFGUDDEW-BIJDZCEYSA-N
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Gene (1 / 2)


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Source Type Unit Value Gene PMID Assay Other
TTDAgonistP2RY2Clinical trial target
TTDDrug(s)P2RY2Clinical trial target
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