Details of the Drug

General Information of Drug (ID: DMLT4JA)

Drug Name
UDP-glucose
Synonyms
Uridine-5'-diphosphate-glucose; URIDINE DIPHOSPHATE GLUCOSE; UDPG; UDP-alpha-D-Glucose; 133-89-1; UNII-V50K1D7P4Y; URIDINE-5'-DIPHOSPHATE-GLUCOSE; 5'-Diphosphoglucose; UDP-D-glucose; GLUCOSE-URIDINE-C1,5'-DIPHOSPHATE; UDPglucose; V50K1D7P4Y; CHEBI:46229; URIDINE-5'-DIPHOSPHOGLUCOSE; UDP-Glc; Uridine diphosphoglucose; Uridine 5'-diphosphoglucose; co-waldenase; URIDINE-5'-MONOPHOSPHATE GLUCOPYRANOSYL-MONOPHOSPHATE ESTER; co-galactoisomerase; [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]; uridine diphosphate glucose; Glucose-Uridine-C1,5'-Diphosphate
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 4 Molecular Weight (mw) 566.3
Logarithm of the Partition Coefficient (xlogp) -6.3
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 9
Hydrogen Bond Acceptor Count (hbondacc) 17
Chemical Identifiers
Formula
C15H24N2O17P2
IUPAC Name
[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
Canonical SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
InChI
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
Cross-matching ID
PubChem CID
8629
ChEBI ID
CHEBI:46229
CAS Number
133-89-1
DrugBank ID
DB01861
TTD ID
D07MIE
VARIDT ID
DR00178
INTEDE ID
DR2133

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
P2Y purinoceptor 14 (P2RY14) TT72OKI P2Y14_HUMAN Agonist [2]
UDP-glucose 4-epimerase (GALE) TTGRHIB GALE_HUMAN Inhibitor [1]
Uracil nucleotide/cysteinyl leukotriene receptor (GPR17) TTMPART GPR17_HUMAN Agonist [3]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
UDP-N-acetylglucosamine/UDP-glucose/GDP-mannose transporter (SLC35D2) DTOUNZE S35D2_HUMAN Substrate [4]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
UDP-glucose 6-dehydrogenase (UGDH)
Main DME 		DE48Q2Z UGDH_HUMAN Substrate [5]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
UDP-glucose 4-epimerase (GALE) OTVFS16E GALE_HUMAN Protein Interaction/Cellular Processes [6]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
2 Cloning, pharmacology, and tissue distribution of G-protein-coupled receptor GPR105 (KIAA0001) rodent orthologs. Genomics. 2001 Dec;78(3):124-8.
3 The orphan receptor GPR17 identified as a new dual uracil nucleotides/cysteinyl-leukotrienes receptor. EMBO J. 2006 Oct 4;25(19):4615-27.
4 Identification and characterization of human Golgi nucleotide sugar transporter SLC35D2, a novel member of the SLC35 nucleotide sugar transporter family. Genomics. 2005 Jan;85(1):106-16.
5 Importance of Gly-13 for the coenzyme binding of human UDP-glucose dehydrogenase. J Biol Chem. 2004 Sep 3;279(36):37491-8.
6 Towards a systematic analysis of human short-chain dehydrogenases/reductases (SDR): Ligand identification and structure-activity relationships. Chem Biol Interact. 2015 Jun 5;234:114-25.