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
CHEMBL375951
CAS Number
133-89-1
UNII
V50K1D7P4Y
DrugBank ID
DB01861
TTD ID
D07MIE
VARIDT ID
DR00178
INTEDE ID
DR2133
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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]
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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.