Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMXHQIN)

• Drug Name: ATPgammaS Drug Info
• Synonyms: adenosine 5'-(3-thio)triphosphate

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Cross-matching ID:
  PubChem CID: 44123300
  TTD Drug ID: DMXHQIN

Molecule-Related Drug Atlas

Drug(s) Targeting P2Y purinoceptor 13 (P2RY13)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
adenosine diphosphate	DMFUHKP	N. A.	N. A.	Investigative	[4]
2MeSATP	DMUE0W6	Discovery agent	N.A.	Investigative	[4]
PPADS	DMWHN3T	Discovery agent	N.A.	Investigative	[4]
2MeSADP	DMGADQ1	Discovery agent	N.A.	Investigative	[4]
2MeSAMP	DMBO2DC	Discovery agent	N.A.	Investigative	[4]
MRS2211	DM2G5ZE	Discovery agent	N.A.	Investigative	[5]
[33P]2MeSADP	DM218VZ	Discovery agent	N.A.	Investigative	[4]
MRS2603	DMNGC79	Discovery agent	N.A.	Investigative	[5]

Drug(s) Targeting P2Y purinoceptor 1 (P2RY1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
adenosine diphosphate	DMFUHKP	N. A.	N. A.	Investigative	[6]
2MeSATP	DMUE0W6	Discovery agent	N.A.	Investigative	[6]
PPADS	DMWHN3T	Discovery agent	N.A.	Investigative	[6]
2MeSADP	DMGADQ1	Discovery agent	N.A.	Investigative	[7]
2',3'-ddATP	DMOB7P6	Discovery agent	N.A.	Investigative	[2]
[35S]ADPbetaS	DMAYPTO	Discovery agent	N.A.	Investigative	[8]
MRS2298	DMZ6EGA	Discovery agent	N.A.	Investigative	[9]
MRS2500	DMNGTOY	Discovery agent	N.A.	Investigative	[10]
2,2'-pyridylisatogen tosylate	DMOQDBA	Discovery agent	N.A.	Investigative	[11]
PMID23368907C16	DMPHKJI	Discovery agent	N.A.	Investigative	[12]

Drug(s) Targeting P2Y purinoceptor 11 (P2RY11)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
INS 316	DMTHMEI	Lung cancer	2C25.0	Discontinued in Phase 3	[13]
2MeSATP	DMUE0W6	Discovery agent	N.A.	Investigative	[3]
BzATP	DM37GYA	Discovery agent	N.A.	Investigative	[3]
NAADP	DM51DW6	Discovery agent	N.A.	Investigative	[14]
NF546	DMPZB31	Discovery agent	N.A.	Investigative	[15]
dATP	DMMXFBJ	Discovery agent	N.A.	Investigative	[3]
NF157	DMGMH8T	Discovery agent	N.A.	Investigative	[16]
NF340	DMPSXR8	Discovery agent	N.A.	Investigative	[17]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
P2Y purinoceptor 1 (P2RY1)	TTA93TL	P2RY1_HUMAN	Agonist	[2]
P2Y purinoceptor 11 (P2RY11)	TTYXPCO	P2Y11_HUMAN	Agonist	[3]
P2Y purinoceptor 13 (P2RY13)	TT1FE3L	P2Y13_HUMAN	Agonist	[4]

References

• [1] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1714).
• [2] An examination of deoxyadenosine 5'(alpha-thio)triphosphate as a ligand to define P2Y receptors and its selectivity as a low potency partial agonist of the P2Y1 receptor. Br J Pharmacol. 1997 May;121(2):338-44.
• [3] Pharmacological characterization of the human P2Y11 receptor. Br J Pharmacol. 1999 Nov;128(6):1199-206.
• [4] Pharmacological characterization of the human P2Y13 receptor. Mol Pharmacol. 2003 Jul;64(1):104-12.
• [5] Synthesis of pyridoxal phosphate derivatives with antagonist activity at the P2Y13 receptor. Biochem Pharmacol. 2005 Jul 15;70(2):266-74.
• [6] Quantitation of the P2Y(1) receptor with a high affinity radiolabeled antagonist. Mol Pharmacol. 2002 Nov;62(5):1249-57.
• [7] Molecular cloning of the platelet P2T(AC) ADP receptor: pharmacological comparison with another ADP receptor, the P2Y(1) receptor. Mol Pharmacol. 2001 Sep;60(3):432-9.
• [8] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 323).
• [9] Antiaggregatory activity in human platelets of potent antagonists of the P2Y 1 receptor. Biochem Pharmacol. 2004 Nov 15;68(10):1995-2002.
• [10] 2-Substitution of adenine nucleotide analogues containing a bicyclo[3.1.0]hexane ring system locked in a northern conformation: enhanced potency as P2Y1 receptor antagonists. J Med Chem. 2003 Nov 6;46(23):4974-87.
• [11] 2,2'-Pyridylisatogen tosylate antagonizes P2Y1 receptor signaling without affecting nucleotide binding. Biochem Pharmacol. 2004 Jul 15;68(2):231-7.
• [12] Two disparate ligand-binding sites in the human P2Y1 receptor. Nature. 2015 Apr 16;520(7547):317-21.
• [13] Characterization of a Ca2+ response to both UTP and ATP at human P2Y11 receptors: evidence for agonist-specific signaling. Mol Pharmacol. 2003 Jun;63(6):1356-63.
• [14] NAADP+ is an agonist of the human P2Y11 purinergic receptor. Cell Calcium. 2008 Apr;43(4):344-55.
• [15] NF546 [4,4'-(carbonylbis(imino-3,1-phenylene-carbonylimino-3,1-(4-methyl-phenylene)-carbonylimino))-bis(1,3-xylene-alpha,alpha'-diphosphonic acid) tetrasodium salt] is a non-nucleotide P2Y11 agonist and stimulates release of interleukin-8 from human monocyte-derived dendritic cells. J Pharmacol Exp Ther. 2010 Jan;332(1):238-47.
• [16] Synthesis and structure-activity relationships of suramin-derived P2Y11 receptor antagonists with nanomolar potency. J Med Chem. 2005 Nov 3;48(22):7040-8.
• [17] Invited Lectures : Overviews Purinergic signalling: past, present and future. Purinergic Signal. 2006 May;2(1):1-324.