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

General Information of Drug (ID: DMGADQ1)

• Drug Name: 2MeSADP Drug Info
• Synonyms: 2-Methylthio-adenosine-5'-diphosphate; 2-MeSADP; 2-methylthio-ADP; 2-Mes-ADP; 2-methylthio-adenosine-5'-diphosphate; CHEMBL435402; 2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate); methylthio-ADP; [(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate; 2-(Methylthio)adenosine 5'-diphosphate; [3H]2-methylthio-ADP; [3H]2MeSADP; (3H)2-Mes-ADP; AC1L3TRY; SCHEMBL195864; GTPL1763; GTPL1710; AC1Q6S18; adenosine, 2-(methylthio)-, 5'-(trihydrogen diphosphate); 2-(Methylthio)-Adenosinediphosphate; 2-methylthio-ADP

Indication

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

• Cross-matching ID:
  PubChem CID: 121990
  CAS Number: CAS 34983-48-7
  TTD Drug ID: DMGADQ1

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]
PPADS	DMWHN3T	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 12 (P2RY12)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Clopidogrel	DMOL54H	Acute coronary syndrome	BA41	Approved	[5]
Prasugrel	DM7MT6E	Acute coronary syndrome	BA41	Approved	[6]
Brilinta	DMBR01X	Acute coronary syndrome	BA41	Approved	[7]
Cangrelor	DM8JRH0	Thrombosis	DB61-GB90	Approved	[8]
INS-50589	DMKZUVC	Cardiovascular disease	BA00-BE2Z	Phase 2	[9]
Elinogrel	DMA4BRV	Myocardial infarction	BA41-BA43	Phase 1	[10]
ARL-67085	DMY5IM2	Thrombosis	DB61-GB90	Phase 1	[11]
adenosine diphosphate	DMFUHKP	N. A.	N. A.	Investigative	[5]
2MeSAMP	DMBO2DC	Discovery agent	N.A.	Investigative	[2]
R-138727	DML49FI	Discovery agent	N.A.	Investigative	[12]

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	[13]
2MeSATP	DMUE0W6	Discovery agent	N.A.	Investigative	[13]
PPADS	DMWHN3T	Discovery agent	N.A.	Investigative	[13]
ATPgammaS	DMXHQIN	Discovery agent	N.A.	Investigative	[14]
2',3'-ddATP	DMOB7P6	Discovery agent	N.A.	Investigative	[14]
[35S]ADPbetaS	DMAYPTO	Discovery agent	N.A.	Investigative	[15]
MRS2298	DMZ6EGA	Discovery agent	N.A.	Investigative	[16]
MRS2500	DMNGTOY	Discovery agent	N.A.	Investigative	[17]
2,2'-pyridylisatogen tosylate	DMOQDBA	Discovery agent	N.A.	Investigative	[18]
PMID23368907C16	DMPHKJI	Discovery agent	N.A.	Investigative	[19]

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 12 (P2RY12)	TTZ1DT0	P2Y12_HUMAN	Agonist	[2]
P2Y purinoceptor 13 (P2RY13)	TT1FE3L	P2Y13_HUMAN	Agonist	[3]

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: 1710).
• [2] 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.
• [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] P2Y12, a new platelet ADP receptor, target of clopidogrel. Semin Vasc Med. 2003 May;3(2):113-22.
• [6] Hughes B: 2009 FDA drug approvals. Nat Rev Drug Discov. 2010 Feb;9(2):89-92.
• [7] Clinical pipeline report, company report or official report of AstraZeneca (2009).
• [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: 328).
• [9] Rapid and reversible modulation of platelet function in man by a novel P2Y(12) ADP-receptor antagonist, INS50589. Platelets. 2007 Aug;18(5):346-56.
• [10] Elinogrel, a reversible P2Y12 receptor antagonist for the treatment of acute coronary syndrome and prevention of secondary thrombotic events. Curr Opin Investig Drugs. 2010 Mar;11(3):340-8.
• [11] Pharmacological characterization of the human P2Y11 receptor. Br J Pharmacol. 1999 Nov;128(6):1199-206.
• [12] Stereoselective inhibition of human platelet aggregation by R-138727, the active metabolite of CS-747 (prasugrel, LY640315), a novel P2Y12 receptor inhibitor. Thromb Haemost. 2005 Sep;94(3):593-8.
• [13] Quantitation of the P2Y(1) receptor with a high affinity radiolabeled antagonist. Mol Pharmacol. 2002 Nov;62(5):1249-57.
• [14] 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.
• [15] 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).
• [16] Antiaggregatory activity in human platelets of potent antagonists of the P2Y 1 receptor. Biochem Pharmacol. 2004 Nov 15;68(10):1995-2002.
• [17] 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.
• [18] 2,2'-Pyridylisatogen tosylate antagonizes P2Y1 receptor signaling without affecting nucleotide binding. Biochem Pharmacol. 2004 Jul 15;68(2):231-7.
• [19] Two disparate ligand-binding sites in the human P2Y1 receptor. Nature. 2015 Apr 16;520(7547):317-21.