Details of the Drug

General Information of Drug (ID: DMVE7MZ)

Drug Name

UDP-xylose

Synonyms

Udp xylose; UDP-xylose; UDP-ALPHA-D-XYLOPYRANOSE; URIDINE-5'-DIPHOSPHATE-XYLOPYRANOSE; URIDINE DIPHOSPHATE XYLOSE; UDP-alpha-D-xylose; Uridine 5'-(trihydrogen diphosphate), P'-alpha-D-xylopyranosyl ester; 3616-06-6; UDP-D-xylose; uridine 5'-[3-(alpha-D-xylopyranosyl) dihydrogen diphosphate]; UDX; UDPxylose; UDP-a-D-xylose; AC1L2DQI; P1-a-D-xylopyranosyl ester; Mono-a-D-xylopyranosyl ester; GTPL4730; CHEBI:16082; ZINC8551129; DB01713; Uridine 51-pyrophosphate, a-D-xylopyranosyl ester; J-700264; Uridine 5'-diphosphoric acid beta-a

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 4

Molecular Weight (mw)

536.28

Logarithm of the Partition Coefficient (xlogp)

-6.6

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C14H22N2O16P2
IUPAC Name: [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl] hydrogen phosphate
Canonical SMILES: C1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O
InChI: InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6-,8+,9-,10-,11-,12-,13-/m1/s1
InChIKey: DQQDLYVHOTZLOR-OCIMBMBZSA-N

Cross-matching ID

PubChem CID: 19235
ChEBI ID: CHEBI:16082
CAS Number: 3616-06-6
DrugBank ID: DB01713
TTD ID: D05KQF
VARIDT ID: DR00090

Molecular Interaction Atlas of This Drug

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
UDP-xylose and UDP-N-acetylglucosamine transporter (SLC35B4)	DTMALXP	S35B4_HUMAN	Substrate	[2]

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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: 4730).
2	The human solute carrier gene SLC35B4 encodes a bifunctional nucleotide sugar transporter with specificity for UDP-xylose and UDP-N-acetylglucosamine. J Biol Chem. 2005 Jul 22;280(29):27230-5.