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
• #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: CHEBI:2181
  CAS Number: 87-96-7
  DrugBank ID: DB15236
  TTD ID: D0G6XS
  VARIDT ID: DR00198

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 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

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.