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

General Information of Drug (ID: DR3401)
Drug Name
Acadesine
Synonyms AICAR; Acadra; ADV-P1; ATH-001; Acadesine (intravenous formulation, leukemia); Acadesine (intravenous formulation, leukemia), Advanced In Vitro Cell Technologies
Indication Diabetic complication [ICD11: 5A2Y] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 258.23 Topological Polar Surface Area 157
Heavy Atom Count 18 Rotatable Bond Count 3
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
17513
ChEBI ID
CHEBI:28498
CAS Number
2627-69-2
TTD Drug ID
D0R3MT
Formula
C9H14N4O5
Canonical SMILES
C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N
InChI
InChI=1S/C9H14N4O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,10H2,(H2,11,17)/t3-,5-,6-,9-/m1/s1
InChIKey
RTRQQBHATOEIAF-UUOKFMHZSA-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
ZMP DM015037
65110
Unclear - Unclear 1 [2]
AMPK DM019115 N. A. Unclear - Unclear 2 [2]
IMP DM001534
135398640
Unclear - Unclear 2 [2]
Adenosine Phosphate DM000018
6083
Unclear - Unclear 3 [2]
ATP generation DM019116 N. A. Unclear - Unclear 3 [2]
Adenosine DM003051
60961
Unclear - Unclear 4 [2]
AMPK DM019115 N. A. Unclear - Unclear 4 [2]
Ischaemic injuury DM019117 N. A. Unclear - Unclear 4 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011567 Acadesine ZMP Unclear - Unclear Unclear [2]
MR011568 ZMP IMP Unclear - Unclear Unclear [2]
MR011572 ZMP AMPK Unclear - Unclear Unclear [2]
MR011573 AMPK ATP generation Unclear - Unclear Unclear [2]
MR011569 IMP AMP Unclear - Unclear Unclear [2]
MR011570 AMP Adenosine Unclear - Unclear Unclear [2]
MR011571 AMP AMPK Unclear - Unclear Unclear [2]
MR011574 ATP generation Ischaemic injuury Unclear - Unclear Unclear [2]
⏷ Show the Full List of 8 MR(s)
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: 5133).
2 A multi-centre dose-escalation and pharmacokinetic study of diflomotecan in patients with advanced malignancy

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