Details of the Drug

General Information of Drug (ID: DMAR467)

Drug Name

Xylose

Synonyms

D-Xylose; D-Xylopyranose; Xyloside; D-xylopentose; (3R,4S,5R)-oxane-2,3,4,5-tetrol; 7261-26-9; CHEBI:53455; Xylopyranoside; D-Xylopyranoside; Xylomed; D-Xyl; 10257-31-5; (3R,4S,5R)-tetrahydro-2H-pyran-2,3,4,5-tetrol; (3R,4S,5R)-Tetrahydro-2H-pyran-2,3,4,5-tetraol; D-(+)-Xylose, > Xyl; Xylose (USP); Xylo-Pfan (TN); DSSTox_CID_3745; Epitope ID:114701; AC1L35YW; DSSTox_RID_77180; SCHEMBL39891; DSSTox_GSID_23745; MLS001361339; cid_135191; CHEMBL502135; DTXSID0023745; CTK0H1735; BDBM16234; MolPort-003-934-029; D-xylose

Indication

Disease Entry	ICD 11	Status	REF
Gastrointestinal disease	DE2Z	Approved	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

150.13

Logarithm of the Partition Coefficient (xlogp)

-2.5

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Absorption Tmax: The time to maximum plasma concentration (Tmax) is 24-48 h [2]
Bioavailability: The bioavailability of drug is 65% [2]
Clearance: The renal clearance of drug is 89 mL/min []
Elimination: In patients with normal kidney function, renal excretion accounts for approximately half (50%) of their total D-xylose elimination [3]
Half-life: The concentration or amount of drug in body reduced by one-half in 75 minutes [4]
Metabolism: The drug is metabolized via the xylitol dehydrogenase (XDH) enzyme [5]
Vd: The volume of distribution (Vd) of drug is 0.22 L/kg []

Chemical Identifiers

Formula: C5H10O5
IUPAC Name: (3R,4S,5R)-oxane-2,3,4,5-tetrol
Canonical SMILES: C1[C@H]([C@@H]([C@H](C(O1)O)O)O)O
InChI: InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5?/m1/s1
InChIKey: SRBFZHDQGSBBOR-IOVATXLUSA-N

Cross-matching ID

PubChem CID: 135191
ChEBI ID: CHEBI:53455
CAS Number: 10257-31-5
DrugBank ID: DB09419
TTD ID: D07HZY
INTEDE ID: DR2152

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Xylose isomerase (xylA)	DE86CHA	XYLA_BIFAA	Substrate	[6]
Xylose isomerase (xylA)	DEMZ1HA	A0A358M0K8_9BACT	Substrate	[7]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2	EMA Assessment Report: Trulicity (dulaglutide) solution for injection
3	Craig RM, Atkinson AJ Jr: D-xylose testing: a review. Gastroenterology. 1988 Jul;95(1):223-31.
4	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
5	Sergeant S, Rahbar E, Chilton FH: Gamma-linolenic acid, Dihommo-gamma linolenic, Eicosanoids and Inflammatory Processes. Eur J Pharmacol. 2016 Aug 15;785:77-86. doi: 10.1016/j.ejphar.2016.04.020. Epub 2016 Apr 12.
6	Purification and characterization of D-xylose isomerase from Bifidobacterium adolescentis. Biosci Biotechnol Biochem. 1994 Apr;58(4):691-4.
7	Bacterial xylose isomerases from the mammal gut Bacteroidetes cluster function in Saccharomyces cerevisiae for effective xylose fermentation. Microb Cell Fact. 2015 May 17;14:70.