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

General Information of Drug (ID: DR1586)
Drug Name
Thymidine
Synonyms
Beta-Thymidine; Deoxyribothymidine; Thymidin; Thymine deoxyriboside; Thymine-2-deoxyriboside; Thymine-2-desoxyriboside; Thyminedeoxyriboside; Uridine, 2'-deoxy-5-methyl-; deoxythymidine; thymidine; 1-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione; 2'-Deoxythymidine; 2'-thymidine; 5-Methyl-2'-deoxyuridine; 5-Methyldeoxyuridine; 5-Methyldeoxyurindine; 50-89-5; AI3-52267; CCRIS 1283; CHEBI:17748; DThyd; MFCD00006537; UNII-VC2W18DGKR; beta-D-Ribofuranoside, thymine-1 2-deoxy-; dT; dThd
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 242.23 Topological Polar Surface Area 99.1
Heavy Atom Count 17 Rotatable Bond Count 2
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
5789
PubChem SID
3221 ; 3514 ; 584044 ; 585552 ; 610621 ; 829296 ; 841406 ; 866851 ; 3139601 ; 6436454 ; 7890767 ; 7980785 ; 8012955 ; 8027291 ; 8145493 ; 8153560 ; 11108071 ; 15196472 ; 22394774 ; 24899996 ; 24900588 ; 26704873 ; 26706463 ; 26718291 ; 26737504 ; 26737509 ; 26754268 ; 29196250 ; 29215196 ; 29224823 ; 46393445 ; 48416620 ; 49684293 ; 49833280 ; 50054703 ; 53789080 ; 56385553 ; 57322955 ; 58874714 ; 79679336 ; 85165052 ; 87576219 ; 91702399 ; 92297558 ; 92712972 ; 103240092 ; 103851056 ; 104310262 ; 117584596 ; 118260657
ChEBI ID
CHEBI:17748
CAS Number
50-89-5
TTD Drug ID
D01GLG
Formula
C10H14N2O5
Canonical SMILES
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O
InChI
1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1
InChIKey
IQFYYKKMVGJFEH-XLPZGREQSA-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
2-deoxy-D-ribose 1-phosphate DM005542
439287
Unclear 1 [2]
Thymine DM005545
1135
Unclear 1 [2]
2-deoxy-D-ribose 5-phosphate (DR5P) DM005543
23615346
Unclear 2 [3]
Acetaldehyde DM003092
177
Unclear 3 [2]
Glyceraldehyde 3-phosphate DM003828
729
Unclear 3 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005908 Thymidine 2-deoxy-D-ribose 1-phosphate Unclear TYMP [2]
MR005912 Thymidine Thymine Unclear TYMP [2]
MR005909 2-deoxy-D-ribose 1-phosphate 2-deoxy-D-ribose 5-phosphate (DR5P) Unclear PPM [3]
MR005910 2-deoxy-D-ribose 5-phosphate (DR5P) Glyceraldehyde 3-phosphate Unclear DERA [2]
MR005911 2-deoxy-D-ribose 5-phosphate (DR5P) Acetaldehyde Unclear DERA [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
2-deoxy-D-ribose 5-phosphate aldolase (DERA) DMEN307 Homo sapiens Not Available Not Available [2]
phosphopentose mutase (PPM) DMEN306 Homo sapiens Not Available Not Available [3]
Thymidine phosphorylase (TYMP) DME0092 Homo sapiens
TYPH_HUMAN
2.4.2.4
[2]
References
1 How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
2 Thymidine catabolism as a metabolic strategy for cancer survival. Cell Rep. 2017 May 16;19(7):1313-1321.
3 Differential metabolism of 4-n- and 4-tert-octylphenols in perfused rat liver

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