Details of the Drug

General Information of Drug (ID: DMAHMSV)

Drug Name
Fucose
Synonyms L-galactomethylose; 6-Desoxygalactose; SCHEMBL13092958; AKOS030212707
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 164.16
Logarithm of the Partition Coefficient (xlogp) -2.1
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C6H12O5
IUPAC Name
(3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol
Canonical SMILES
C[C@H]1[C@H]([C@H]([C@@H](C(O1)O)O)O)O
InChI
InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1
InChIKey
SHZGCJCMOBCMKK-DHVFOXMCSA-N
Cross-matching ID
PubChem CID
17106
ChEBI ID
CHEMBL2181
CAS Number
87-96-7
UNII
28RYY2IV3F
DrugBank ID
DB15236
TTD ID
D0G6XS
VARIDT ID
DR00198
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Acetylcholinesterase (AChE) TT1RS9F ACES_HUMAN Inhibitor [1]
Alpha-galactosidase A (GLA) TTIS03D AGAL_HUMAN Inhibitor [1]
Cathepsin S (CTSS) TTUMQVO CATS_HUMAN Inhibitor [1]
Cholinesterase (BCHE) TTEB0GD CHLE_HUMAN Inhibitor [1]
Coagulation factor VII (F7) TTF0EGX FA7_HUMAN Inhibitor [1]
Complement C1s component (C1S) TT7LRQH C1S_HUMAN Inhibitor [1]
Cytotoxic T-lymphocyte protein 4 (CTLA-4) TTI2S1D CTLA4_HUMAN Inhibitor [1]
Dipeptidyl peptidase 4 (DPP-4) TTDIGC1 DPP4_HUMAN Inhibitor [1]
E-selectin (SELE) TTAU4D6 LYAM2_HUMAN Inhibitor [1]
Immunoglobulin epsilon Fc receptor gamma (FCERG) TTDGEC0 FCERG_HUMAN Inhibitor [1]
Influenza Neuraminidase (Influ NA) TT50QJ3 NRAM_I33A0 Inhibitor [1]
Insulin-like growth factor I receptor (IGF1R) TTHRID2 IGF1R_HUMAN Inhibitor [1]
Lactase-phlorizin hydrolase (LCT) TTA0OSE LPH_HUMAN Inhibitor [1]
Lactotransferrin (LTF) TTSZDQU TRFL_HUMAN Inhibitor [1]
Membrane-associated lectin type-C (CD209) TTBXIM9 CD209_HUMAN Inhibitor [1]
Neutrophil elastase (NE) TTPLTSQ ELNE_HUMAN Inhibitor [1]
P-selectin (SELP) TTE5VG0 LYAM3_HUMAN Inhibitor [1]
Urokinase-type plasminogen activator (PLAU) TTGY7WI UROK_HUMAN Inhibitor [1]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Sodium/glucose cotransporter 1 (SLC5A1) DTOKC04 SC5A1_HUMAN Substrate [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Neutrophil elastase (NE) DTT ELANE 1.68E-01 0.03 0.14
P-selectin (SELP) DTT SELP 1.72E-04 1.23 0.86
E-selectin (SELE) DTT SELE 2.05E-01 0.03 0.09
Sodium/glucose cotransporter 1 (SLC5A1) DTP SGLT1 1.61E-01 -1.75E-01 -2.67E-01
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
2 The role of SGLT1 and GLUT2 in intestinal glucose transport and sensing. PLoS One. 2014 Feb 26;9(2):e89977.