Details of the Drug

General Information of Drug (ID: DMPA0BJ)

Drug Name
Uridine Diphosphate Galactose
Synonyms
Udp galactose; uridine diphosphate galactose; UDP-D-galactopyranose; Uridine pyrophosphogalactose; Uridinediphosphogalactose; UDP-galactose; Udpgal; Uridine diphosphogalactose; UDP-alpha-D-Galactose; Uridine diphosphategalactose; GALACTOSE-URIDINE-5'-DIPHOSPHATE; 2956-16-3; UDP-Gal; CHEMBL439009; CHEBI:67119; UDP-D-galactose; UDP-alpha-D-galactopyranose; UDP-galactopyranose; Uridine-5'-diphosphate-alpha-D-galactose; Uridinediphosphate galactose; Uridine 5'-diphosphogalactose; GDU; UDPgalactose; Uridine 5'-(alpha-D-galactopyranosy
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Affected Organisms
Humans and other mammals
Drug Type
Small molecular drug
Structure
3D MOL 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,5R,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-ABVWGUQPSA-N
Cross-matching ID
PubChem CID
18068
ChEBI ID
CHEMBL439009
CAS Number
2956-16-3
UNII
O2HY4WY2W1
DrugBank ID
DB03501
TTD ID
D0K7WW
INTEDE ID
DR2132
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
UDP-glucose 4-epimerase (GALE) TTGRHIB GALE_HUMAN Inhibitor [2]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Collagen galactosyltransferase (COLGALT2) DE8RIZD GT252_HUMAN Substrate [3]
Histo-blood group ABO system transferase (NAGAT) DESIA7R BGAT_HUMAN Substrate [4]
Xylosylprotein 4-beta-galactosyltransferase (XGalT-1) DEKRS6L B4GT7_HUMAN Substrate [5]
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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: 1782).
2 Crystal structure of beta1,4-galactosyltransferase complex with UDP-Gal reveals an oligosaccharide acceptor binding site. J Mol Biol. 2002 Apr 26;318(2):491-502.
3 Core glycosylation of collagen is initiated by two beta(1-O)galactosyltransferases. Mol Cell Biol. 2009 Feb;29(4):943-52.
4 Structural basis for red cell phenotypic changes in newly identified, naturally occurring subgroup mutants of the human blood group B glycosyltransferase. Transfusion. 2007 May;47(5):864-75.
5 Probing the acceptor active site organization of the human recombinant beta1,4-galactosyltransferase 7 and design of xyloside-based inhibitors. J Biol Chem. 2015 Mar 20;290(12):7658-70.