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

General Information of Drug (ID: DR0047)
Drug Name
Adenosine phosphate
Synonyms
Adenosine 5'-phosphoric acid; Adenosine monophosphate; Adenosine-5'-monophosphate; Adenosine-5-monophosphoric acid; Adenosini phosphas; Adenovite; AMP (nucleotide); Cardiomone; Ergadenylic acid; Lycedan; Monophosphadenine; Muscle adenylic acid; Muskeladenylsaeure; My-B-Den; Myoston; Phosaden; Phosphaden; Phosphentaside; Vitamin B8; adenosine 5'-monophosphate; adenosine 5'-phosphate; adenosine phosphate; adenylate; adenylic acid; 5'-AMP; 5'-adenosine monophosphate; 5'-adenylic acid; 61-19-8; AMP; Adenosine 5'-(dihydrogen phosphate)
Indication Asthma [ICD11: CA23] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 347.22 Topological Polar Surface Area 186
Heavy Atom Count 23 Rotatable Bond Count 4
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 11
Cross-matching ID
PubChem CID
6083
PubChem SID
3322 ; 583720 ; 583923 ; 584440 ; 584442 ; 584452 ; 584455 ; 584487 ; 584571 ; 585427 ; 610407 ; 819401 ; 819945 ; 819947 ; 819949 ; 820210 ; 820387 ; 820906 ; 821396 ; 823646 ; 823841 ; 824145 ; 824148 ; 826522 ; 826525 ; 826568 ; 826569 ; 827049 ; 827589 ; 827693 ; 827918 ; 828361 ; 828365 ; 828366 ; 828368 ; 828899 ; 830720 ; 830875 ; 832127 ; 832329 ; 832477 ; 832865 ; 833689 ; 834616 ; 836112 ; 837134 ; 838177 ; 838245 ; 838945 ; 841545
ChEBI ID
ChEBI:16027
CAS Number
61-19-8
TTD Drug ID
D06ACW
Formula
C10H14N5O7P
Canonical SMILES
C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
InChI
1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey
UDMBCSSLTHHNCD-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
IMP DM001534
135398640
Unclear 1 [4] , [5]
Inosine DM003100
135398641
Unclear 2 [4] , [5]
Hypoxanthine arabinoside DM001536
135410268
Unclear 3 [4] , [6] , [5]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR000082 Adenosine phosphate Adenosine phosphate metabolite IMP Unclear Unclear [4], [5]
MR000081 Adenosine phosphate metabolite IMP Inosine Unclear Unclear [4], [5]
MR000083 Inosine Adenosine phosphate metabolite Hx (hypoxanthine) Unclear Unclear [4], [6], [5]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Adenine phosphoribosyltransferase (APRT) DME0078 Homo sapiens
APT_HUMAN
2.4.2.7
[2]
Adenosine aminohydrolase (ADA) DME0060 Homo sapiens
ADA_HUMAN
3.5.4.4
[3]
References
1 ClinicalTrials.gov (NCT02574975) Assessment of Airway Responsiveness and Treatment Efficacy in Asthmatics.
2 Configuration of a scintillation proximity assay for the activity assessment of recombinant human adenine phosphoribosyltransferase. Assay Drug Dev Technol. 2006 Dec;4(6):661-9.
3 Adenosine Metabolism: Emerging Concepts for Cancer Therapy Cancer Cell. 2019 Dec 9;36(6):582-596. doi: 10.1016/j.ccell.2019.10.007.
4 Condition-dependent adenosine monophosphate decomposition pathways in striated adductor muscle from Japanese scallop (Patinopecten yessoensis) J Food Sci. 2020 May;85(5):1462-1469. doi: 10.1111/1750-3841.15142.
5 Purine signaling pathway dysfunction in autism spectrum disorders: Evidence from multiple omics data. Front Mol Neurosci. 2023 Feb 3;16:1089871. doi: 10.3389/fnmol.2023.1089871.
6 Hypoxanthine Reduces Radiation Damage in Vascular Endothelial Cells and Mouse Skin by Enhancing ATP Production via the Salvage Pathway. Radiat Res. 2022 Jun 1;197(6):583-593. doi: 10.1667/RADE-21-00223.1.

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