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

General Information of Drug (ID: DMWV5C3)

• Drug Name: [3H]alphabeta-meATP Drug Info
• Synonyms: Diphosphomethylphosphonic acid adenosyl ester; alpha,beta-Methylene ATP; alpha,beta-meATP; 7292-42-4; UNII-NYX13NT29D; diphosphomethylphosphonic acid adenosyl ester; alpha,beta-Methyleneadenosine 5'-triphosphate; EINECS 230-723-9; NYX13NT29D; ALPHA,BETA-METHYLENEADENOSINE-5'-TRIPHOSPHATE; CHEMBL132722; CHEBI:35056; 5'-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl)adenosine; 5'-(Hydrogen((hydroxy(phosphonooxy)phosphinyl)methyl)phosphonate)adenosine; adenosine 5'-[alpha,beta-methylene]triphosphate; AMP-CPP; Adenosine 5'-(hydrogen; Alpha,Beta-Methyleneadenosine-5'-Triphosphate

Indication

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

• Cross-matching ID:
  PubChem CID: 91557
  ChEBI ID: CHEBI:35056
  CAS Number: CAS 7292-42-4
  TTD Drug ID: DMWV5C3

Molecule-Related Drug Atlas

Drug(s) Targeting Adenylate cyclase (ADCY)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Ad5-AC6	DMQNFZE	Cardiac failure	BD10-BD13	Terminated	[3]
[3H]cAMP	DMZRQU7	Discovery agent	N.A.	Investigative	[2]
N6-CYCLOPENTYLADENOSINE	DMD6AJO	Discovery agent	N.A.	Investigative	[4]
NSC-88915	DM9WIHJ	Solid tumour/cancer	2A00-2F9Z	Investigative	[5]
2-hydroxy-17beta-estradiol	DMM9Z0B	Discovery agent	N.A.	Investigative	[5]
2,5-didesoxy-3-ATP	DM5CWM0	Discovery agent	N.A.	Investigative	[5]
		N. A.	N. A.		[6]
		N. A.	N. A.		[6]
		N. A.	N. A.		[6]
		N. A.	N. A.		[6]

Drug(s) Targeting Bacterial Hydroxymethyl-dihydropterin pyrophosphokinase (Bact folK)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
PD-157695	DMDSR1X	Schizophrenia	6A20	Preclinical	[7]
Acetate Ion	DMD08RH	Discovery agent	N.A.	Investigative	[2]
[Pterin-6-Yl Methanyl]-Phosphonophosphate	DM4ZY79	Discovery agent	N.A.	Investigative	[2]
6-Hydroxymethyl-7,8-Dihydropterin	DMYF60K	Discovery agent	N.A.	Investigative	[2]
6-Hydroxymethylpterin	DM7EWDN	Discovery agent	N.A.	Investigative	[8]
P(1)-(6-Hydroxymethylpterin)-P(4)-(5'-adenosyl)tetraphosphate	DMOY627	Discovery agent	N.A.	Investigative	[7]

Drug(s) Targeting Bacterial NH(3)-dependent NAD(+) synthetase (Bact nadE)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Nicotinamide-Adenine-Dinucleotide	DM9LRKB	N. A.	N. A.	Investigative	[2]
Pyrophosphate 2-	DMZQ75M	Discovery agent	N.A.	Investigative	[6]
Diphosphate	DMHY30B	Discovery agent	N.A.	Investigative	[2]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenylate cyclase (ADCY)	TT2QM9D	NOUNIPROTAC	Inhibitor	[2]
Bacterial Hydroxymethyl-dihydropterin pyrophosphokinase (Bact folK)	TT38ECI	HPPK_ECOLI	Inhibitor	[2]
Bacterial NH(3)-dependent NAD(+) synthetase (Bact nadE)	TT8WCXO	NADE_ECOLI	Inhibitor	[2]

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: 5405).
• [2] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [3] Unanticipated Signaling Events Associated with Cardiac Adenylyl Cyclase Gene Transfer. J Mol Cell Cardiol. 2011 May; 50(5): 751-758.
• [4] Activity of N6-substituted 2-chloroadenosines at A1 and A2 adenosine receptors. J Med Chem. 1991 Dec;34(12):3388-90.
• [5] Structure-based development of novel adenylyl cyclase inhibitors. J Med Chem. 2008 Aug 14;51(15):4456-64.
• [6] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
• [7] Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: synthesis and biochemical and crystallographic studies. J Med Chem. 2001 Apr 26;44(9):1364-71.
• [8] DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.