Details of the Drug

General Information of Drug (ID: DMVWUCF)

Drug Name
Sucrose
Synonyms
sucrose; saccharose; 57-50-1; Cane sugar; sugar; Table sugar; White sugar; D-Sucrose; Saccharum; Rohrzucker; Amerfand; Sucrose, pure; Sucrose, dust; D(+)-Saccharose; sacarosa; D(+)-Sucrose; D-(+)-Saccharose; beta-D-Fructofuranosyl alpha-D-glucopyranoside; Microse; Amerfond; Granulated sugar; Rock candy; Beet sugar; Sucraloxum [INN-Latin]; beta-D-Fructofuranosyl-alpha-D-glucopyranoside; Confectioner's sugar; HSDB 500; Sacharose; CCRIS 2120; Sucrose [USAN:JAN]; alpha-D-Glucopyranosyl beta-D-fructofuranoside; CHEBI:17992; D-Saccharose
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): 3 Molecular Weight (mw) 342.3
Logarithm of the Partition Coefficient (xlogp) -3.7
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 8
Hydrogen Bond Acceptor Count (hbondacc) 11
Chemical Identifiers
Formula
C12H22O11
IUPAC Name
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O
InChI
InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
InChIKey
CZMRCDWAGMRECN-UGDNZRGBSA-N
Cross-matching ID
PubChem CID
5988
ChEBI ID
CHEMBL253582
CAS Number
57-50-1
UNII
C151H8M554
DrugBank ID
DB02772
TTD ID
D08TCV
VARIDT ID
DR00131
INTEDE ID
DR2151
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Staphylococcus Beta-lactamase (Stap-coc blaZ) TTHI19T BLAC_STAAU Inhibitor [2]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Solute carrier family 45 member 4 (SLC45A4) DTKPHZ6 S45A4_HUMAN Substrate [3]
Solute carrier family 45 member 3 (SLC45A3) DTGEFXH S45A3_HUMAN Substrate [4]
Membrane-associated transporter protein (SLC45A2) DTNCJAT S45A2_HUMAN Substrate [5]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Fructokinase (scrK) DEBW1FU SCRK_FUSMR Substrate [6]
Sucrose phosphorylase (Spase) DEJ4FO2 A0A0M4N1J6_BIFLN Substrate [7]
Glucansucrase (gtf106B) DEWRN24 Q5SBN3_LACRE Substrate [8], [9]
Beta-fructofuranosidase (BFRU) DECWNTP E1CPU3_BIFLN Substrate [7]
Sucrose-6-phosphate hydrolase scrB (ScrB) DEICTXP B0MAC0_ANACD Substrate [7]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Neurotensin/neuromedin N (NTS) OTPGDNQS NEUT_HUMAN Gene/Protein Processing [10]
Sex hormone-binding globulin (SHBG) OTPWU5IW SHBG_HUMAN Gene/Protein Processing [11]
Molecular Interaction Atlas (MIA) 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: 5411).
2 Ten S, Maclaren N: Insulin resistance syndrome in children. J Clin Endocrinol Metab. 2004 Jun;89(6):2526-39.
3 The SLC45 gene family of putative sugar transporters. Mol Aspects Med. 2013 Apr-Jun;34(2-3):655-60.
4 Putative role of the H(+)/sucrose symporter SLC45A3 as an osmolyte transporter in the kidney. Pflugers Arch. 2016 Aug;468(8):1353-62.
5 Identification of amino acids important for substrate specificity in sucrose transporters using gene shuffling. J Biol Chem. 2012 Aug 31;287(36):30296-304.
6 Sugar metabolism by fusobacteria: regulation of transport, phosphorylation, and polymer formation by Fusobacterium mortiferum ATCC 25557. Infect Immun. 1991 Dec;59(12):4547-54.
7 Characterization of fructooligosaccharide-degrading enzymes in human commensal Bifidobacterium longum and Anaerostipes caccae. Biochem Biophys Res Commun. 2019 Oct 15;518(2):294-298.
8 Biosolids application affects the competitive sorption and lability of cadmium, copper, nickel, lead, and zinc in fluvial and calcareous soils. Environ Geochem Health. 2017 Dec;39(6):1365-1379.
9 Growth and tolerance of term infants fed formula with probiotic lactobacillus reuteri. Clin Pediatr (Phila). 2015 Oct;54(12):1175-84.
10 Protein kinase C inhibitors alter neurotensin receptor binding and function in prostate cancer PC3 cells. Regul Pept. 2008 Apr 10;147(1-3):96-109. doi: 10.1016/j.regpep.2008.01.009. Epub 2008 Feb 11.
11 Monosaccharide-induced lipogenesis regulates the human hepatic sex hormone-binding globulin gene. J Clin Invest. 2007 Dec;117(12):3979-87. doi: 10.1172/JCI32249.