Details of the Drug

General Information of Drug (ID: DMYCV7U)

• Drug Name: N,O6-Disulfo-Glucosamine
• Synonyms: N,O6-Disulfo-Glucosamine; 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose; SGN; AC1L9G8A; SCHEMBL1009127; DB03959; 6-O-sulfo-N-sulfo-alpha-d-glucosamine; J3.578.180C; 6-O-Sulfo-2-(sulfoamino)-2-deoxy-alpha-D-glucopyranose; [(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(sulfooxymethyl)oxan-3-yl]sulfamic acid; WURCS=2.0/1,1,0/[a2122h-1a_1-5_2*NSO/3=O/3=O_6*OSO/3=O/3=O]/1/

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 339.3
  Logarithm of the Partition Coefficient (xlogp); -4.2
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 6
  Hydrogen Bond Acceptor Count (hbondacc); 12
• Chemical Identifiers:
  Formula: C6H13NO11S2
  IUPAC Name: [(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(sulfooxymethyl)oxan-3-yl]sulfamic acid
  Canonical SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O
  InChI: InChI=1S/C6H13NO11S2/c8-4-2(1-17-20(14,15)16)18-6(10)3(5(4)9)7-19(11,12)13/h2-10H,1H2,(H,11,12,13)(H,14,15,16)/t2-,3-,4-,5-,6+/m1/s1
  InChIKey: DQTRACMFIGDHSN-UKFBFLRUSA-N
• Cross-matching ID:
  PubChem CID: 444389
  DrugBank ID: DB03959
  TTD ID: D0B0SV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fibroblast growth factor-2 (FGF2)	TTGKIED	FGF2_HUMAN	Inhibitor	[1]
Heparin-binding growth factor 1 (FGF1)	TTMY81X	FGF1_HUMAN	Inhibitor	[1]
Hepatocyte growth factor (HGF)	TT4V2JM	HGF_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Fibroblast growth factor-2 (FGF2)	DTT	FGF2	6.36E-03	0.05	0.3

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.