Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR5053)
Drug Name
Adenosine triphosphate
Synonyms
Adenylpyrophosphate; Triphosadenine; Triphosadenine (DCF); Adenosine 5'-triphosphate(4-); [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate; [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate; [[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid; 3b2q; 5-(6-Aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-ylmethoxy-hydroxy-phosphoryloxy-hydroxy-phosphoryl oxyphosphonic acid; 9H-purin-6-amine, 9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]
Indication Malnutrition [ICD11: 5B50-5B71] Approved [1]
Heart disease [ICD11: ICD11: BA41-BA42] Phase 2 [2]
Bradycardia [ICD11: ICD11: MC81] Discontinued in Phase 2 [3]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 507.18 Topological Polar Surface Area 279
Heavy Atom Count 31 Rotatable Bond Count 8
Hydrogen Bond Donor Count 7 Hydrogen Bond Acceptor Count 17
Cross-matching ID
PubChem CID
5957
ChEBI ID
CHEBI:15422
CAS Number
56-65-5
TTD Drug ID
D01BYB
Formula
C10H16N5O13P3
Canonical SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
InChI
InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey
ZKHQWZAMYRWXGA-KQYNXXCUSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Adenosine diphosphate DM000019
6022
Unclear - Unclear 1 [4]
Adenosine Phosphate DM000018
6083
Unclear - Unclear 2 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011011 Adenosine triphosphate Adenosine diphosphate Unclear - Unclear Unclear [4]
MR011012 Adenosine diphosphate Adenosine Phosphate Unclear - Unclear Unclear [4]
References
1 Emerging drugs for chemotherapy-induced mucositis. Expert Opin Emerg Drugs. 2008 Sep;13(3):511-22.
2 Duska Therapeutics Updates Recent Drug Development and Corporate Activities. U.S. Securities and Exchange Commission. February 16, 2005.
3 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800023552)
4 ATP and its metabolite adenosine cooperatively upregulate the antigen-presenting molecules on dendritic cells leading to IFN- production by T cells

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