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]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 4

Molecular Weight (mw)

566.3

Topological Polar Surface Area (xlogp)

-6.3

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: CHEBI:67119
CAS Number: 2956-16-3
DrugBank ID: DB03501
TTD ID: D0K7WW
INTEDE ID: DR2132

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]

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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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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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.
6	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
7	Identification of novel inhibitors of UDP-Glc 4'-epimerase, a validated drug target for african sleeping sickness. Bioorg Med Chem Lett. 2006 Nov 15;16(22):5744-7.
8	DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.