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
Structure
3D MOL 2D MOL
#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
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
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.