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]
Affected Organisms
Humans and other mammals
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) 0
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 5
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
CHEMBL53455
CAS Number
10257-31-5
UNII
A1TA934AKO
DrugBank ID
DB09419
TTD ID
D07HZY
INTEDE ID
DR2152
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Molecular Interaction Atlas (MIA) 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.