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

General Information of Drug (ID: DMWHN3T)

• Drug Name: PPADS Drug Info

Indication

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

• Cross-matching ID:
  PubChem CID: 4881
  ChEBI ID: CHEBI:34941
  CAS Number: CAS 149017-66-3
  TTD Drug ID: DMWHN3T

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	[3]
2MeSATP	DMUE0W6	Discovery agent	N.A.	Investigative	[3]
2MeSADP	DMGADQ1	Discovery agent	N.A.	Investigative	[3]
ATPgammaS	DMXHQIN	Discovery agent	N.A.	Investigative	[3]
2MeSAMP	DMBO2DC	Discovery agent	N.A.	Investigative	[3]
MRS2211	DM2G5ZE	Discovery agent	N.A.	Investigative	[4]
[33P]2MeSADP	DM218VZ	Discovery agent	N.A.	Investigative	[3]
MRS2603	DMNGC79	Discovery agent	N.A.	Investigative	[4]

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	[2]
2MeSATP	DMUE0W6	Discovery agent	N.A.	Investigative	[2]
2MeSADP	DMGADQ1	Discovery agent	N.A.	Investigative	[5]
ATPgammaS	DMXHQIN	Discovery agent	N.A.	Investigative	[6]
2',3'-ddATP	DMOB7P6	Discovery agent	N.A.	Investigative	[6]
[35S]ADPbetaS	DMAYPTO	Discovery agent	N.A.	Investigative	[7]
MRS2298	DMZ6EGA	Discovery agent	N.A.	Investigative	[8]
MRS2500	DMNGTOY	Discovery agent	N.A.	Investigative	[9]
2,2'-pyridylisatogen tosylate	DMOQDBA	Discovery agent	N.A.	Investigative	[10]
PMID23368907C16	DMPHKJI	Discovery agent	N.A.	Investigative	[11]

Drug(s) Targeting P2Y purinoceptor 4 (P2RY4)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
INS 316	DMTHMEI	Lung cancer	2C25.0	Discontinued in Phase 3	[12]
UTPgammaS	DMKLB4O	Discovery agent	N.A.	Investigative	[13]
CTP	DM4T62U	Discovery agent	N.A.	Investigative	[12]
ITP	DMVFITX	Discovery agent	N.A.	Investigative	[12]
2-amino-uridine-5'-monophosphate	DMO792L	Discovery agent	N.A.	Investigative	[14]
MRS2927	DMB2A7Q	Discovery agent	N.A.	Investigative	[15]
MRS4062	DMWKXGP	Discovery agent	N.A.	Investigative	[15]
N4-phenylethoxycytidine-5'-triphosphate	DM7KX2V	Discovery agent	N.A.	Investigative	[15]
(N)methanocarba-UTP	DM6SV7I	Discovery agent	N.A.	Investigative	[16]

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	Antagonist	[2]
P2Y purinoceptor 13 (P2RY13)	TT1FE3L	P2Y13_HUMAN	Antagonist	[3]
P2Y purinoceptor 4 (P2RY4)	TT24DGP	P2RY4_HUMAN	Antagonist	[1]

References

• [1] Development of selective agonists and antagonists of P2Y receptors. Purinergic Signal. 2009 Mar;5(1):75-89.
• [2] Quantitation of the P2Y(1) receptor with a high affinity radiolabeled antagonist. Mol Pharmacol. 2002 Nov;62(5):1249-57.
• [3] Pharmacological characterization of the human P2Y13 receptor. Mol Pharmacol. 2003 Jul;64(1):104-12.
• [4] Synthesis of pyridoxal phosphate derivatives with antagonist activity at the P2Y13 receptor. Biochem Pharmacol. 2005 Jul 15;70(2):266-74.
• [5] 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.
• [6] 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.
• [7] 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).
• [8] Antiaggregatory activity in human platelets of potent antagonists of the P2Y 1 receptor. Biochem Pharmacol. 2004 Nov 15;68(10):1995-2002.
• [9] 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.
• [10] 2,2'-Pyridylisatogen tosylate antagonizes P2Y1 receptor signaling without affecting nucleotide binding. Biochem Pharmacol. 2004 Jul 15;68(2):231-7.
• [11] Two disparate ligand-binding sites in the human P2Y1 receptor. Nature. 2015 Apr 16;520(7547):317-21.
• [12] ATP, an agonist at the rat P2Y(4) receptor, is an antagonist at the human P2Y(4) receptor. Mol Pharmacol. 2000 May;57(5):926-31.
• [13] Enzymatic synthesis of UTP gamma S, a potent hydrolysis resistant agonist of P2U-purinoceptors. Br J Pharmacol. 1996 Jan;117(1):203-9.
• [14] Structural modifications of UMP, UDP, and UTP leading to subtype-selective agonists for P2Y2, P2Y4, and P2Y6 receptors. J Med Chem. 2011 Apr 28;54(8):2878-90.
• [15] Pyrimidine nucleotides with 4-alkyloxyimino and terminal tetraphosphate delta-ester modifications as selective agonists of the P2Y(4) receptor. J Med Chem. 2011 Jun 23;54(12):4018-33.
• [16] Methanocarba modification of uracil and adenine nucleotides: high potency of Northern ring conformation at P2Y1, P2Y2, P2Y4, and P2Y11 but not P2Y6 receptors. J Med Chem. 2002 Jan 3;45(1):208-18.