DIQUAFOSOL TETRASODIUM


Synonyms	DE-089 Diquafosol sodium Diquafosol tetrasodium Diquafosol tetrasodium salt INS 365 INS365 KPY-998
Status
Molecule Category	Salt-form
UNII	X8T9SBH9LL


InChI Key	OWTGMPPCCUSXIP-FNXFGIETSA-J
Smiles	O=c1ccn([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1.[Na+].[Na+].[Na+].[Na+]
InChI	InChI=1S/C18H26N4O23P4.4Na/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30;;;;/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30);;;;/q;4*+1/p-4/t7-,8-,11-,12-,13-,14-,15-,16-;;;;/m1..../s1

Mechanism of Action	Action	Reference
Purinergic receptor P2Y1 agonist	AGONIST	Other

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Purine receptor	100-870	-	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	100-870	-	-	-	-


Protein: Purinergic receptor P2Y2 Description: P2Y purinoceptor 2 Organism : Homo sapiens P41231 ENSG00000175591










Protein: Purinergic receptor P2Y1 Description: P2Y purinoceptor 1 Organism : Homo sapiens P47900 ENSG00000169860











Protein: Pyrimidinergic receptor P2Y4 Description: P2Y purinoceptor 4 Organism : Homo sapiens P51582 ENSG00000186912









Protein: Pyrimidinergic receptor P2Y6 Description: P2Y purinoceptor 6 Organism : Homo sapiens Q15077 ENSG00000171631

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