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

General Information of Drug (ID: DR2133)
Drug Name
UDP-glucose
Synonyms
GLUCOSE-URIDINE-C1,5'-DIPHOSPHATE; UDP-D-glucose; UDP-Glc; UDP-alpha-D-Glucose; UDP-glucose; UDPglucose; URIDINE DIPHOSPHATE GLUCOSE; URIDINE-5'-DIPHOSPHATE-GLUCOSE; URIDINE-5'-DIPHOSPHOGLUCOSE; Uridine diphosphoglucose; V50K1D7P4Y; co-galactoisomerase; co-waldenase; 133-89-1; 5'-Diphosphoglucose; CHEBI:46229; UDPG; UNII-V50K1D7P4Y; URIDINE-5'-MONOPHOSPHATE GLUCOPYRANOSYL-MONOPHOSPHATE ESTER
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 566.3 Topological Polar Surface Area 292
Heavy Atom Count 36 Rotatable Bond Count 9
Hydrogen Bond Donor Count 9 Hydrogen Bond Acceptor Count 17
Cross-matching ID
PubChem CID
8629
PubChem SID
3331 ; 822334 ; 822339 ; 822342 ; 822373 ; 822736 ; 823181 ; 825775 ; 825937 ; 826789 ; 826790 ; 828077 ; 828078 ; 831215 ; 832419 ; 833448 ; 838338 ; 841583 ; 855084 ; 855419 ; 855421 ; 7888026 ; 7891010 ; 8010109 ; 8015887 ; 8026467 ; 8156098 ; 11532689 ; 11538176 ; 14813015 ; 24277414 ; 26702312 ; 26707743 ; 26707752 ; 26707756 ; 26707760 ; 26712884 ; 26713096 ; 26737026 ; 26750306 ; 29227297 ; 49655449 ; 49655451 ; 50086969 ; 50092239 ; 57325140 ; 57581424 ; 74382948 ; 77612458 ; 85149417
ChEBI ID
CHEBI:46229
CAS Number
133-89-1
TTD Drug ID
D07MIE
Formula
C15H24N2O17P2
Canonical SMILES
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O
InChI
1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1
InChIKey
HSCJRCZFDFQWRP-JZMIEXBBSA-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
Glucose-1-phosphate DM004098
65533
Unclear 1 [2]
Glycogen DM006465
439177
Unclear 1 [2]
UDP-galactose DM004096
18068
Oxidation - Hydrolyzationn 1 [2]
Galactose-1-phosphate DM001735
123912
Unclear 2 [3]
Glucose-6-phosphate DM004099
5958
Unclear 2 [2]
Fru-6-P DM004100
69507
Unclear 3 [2]
Fructose-6-phosphate(F6P) DM004100
440641
Unclear 3 [2]
UDP-galactose DM004096
18068
Unclear 3 [2]
UDP-glc DM004097
8629
Unclear 4 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004475 UDP-glc Glucose-1-phosphate Unclear GALT [2]
MR004478 UDP-glc Glycogen Unclear GS [2]
MR004471 UDP-glucose UDP-galactose Oxidation - Hydrolyzationn GALE [2]
MR004476 Glucose-1-phosphate Glucose-6-phosphate Unclear PGM1 [2]
MR004472 UDP-galactose Galactose-1-phosphate Unclear Enpp1 [3]
MR004473 Galactose-1-phosphate UDP-galactose Unclear GALT [2]
MR004477 Glucose-6-phosphate Fru-6-P Unclear PGI [2]
MR004474 UDP-galactose UDP-glc Unclear GALE [2]
⏷ Show the Full List of 8 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Galactose-1-phosphate uridylyltransferase (GALT) DMEN210 Homo sapiens Not Available Not Available [2]
glutamine synthetase (GS) DMEN204 Escherichia coli Not Available Not Available [2]
Nucleotide pyrophosphatase (Enpp1) DMEN209 Rattus norvegicus Not Available Not Available [3]
Phosphoglucomutase 1 (PGM1) DME0146 Homo sapiens
PGM1_HUMAN
5.4.2.2
[2]
UDP-glucose 4-epimerase (GALE) DMEN208 Homo sapiens
GALE_HUMAN
5.1.3.2
[2]
UDP-glucose 6-dehydrogenase (UGDH) DME0465 Homo sapiens
UGDH_HUMAN
1.1.1.22
[4]
Unclear metabolic mechanism (DME-unclear) (PGI) DMEN207 Bacteroides fragilis Not Available Not Available [2]
⏷ Show the Full List of 7  DME(s)
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
UDP-glucose 6-dehydrogenase (UGDH) DME0465 Km = 0.011 microM
UGDH_HUMAN
[5]
References
1 How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
2 Defects in Galactose Metabolism and Glycoconjugate Biosynthesis in a UDP-Glucose Pyrophosphorylase-Deficient Cell Line Are Reversed by Adding Galactose to the Growth Medium
3 UDP-galactose hydrolysis in brain and its effect on cerebroside synthesis
4 Importance of Gly-13 for the coenzyme binding of human UDP-glucose dehydrogenase. J Biol Chem. 2004 Sep 3;279(36):37491-8.
5 Characterization of human UDP-glucose dehydrogenase. CYS-276 is required for the second of two successive oxidations. J Biol Chem. 2004 May 28;279(22):23590-6.

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.