Details of the Drug

General Information of Drug (ID: DM4RD2S)

• Drug Name: 1,4-Dideoxy-5-Dehydro-O2-Sulfo-Glucuronic Acid
• Synonyms: AC1NRDG1; (3S,4S)-4-hydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 240.19
  Logarithm of the Partition Coefficient (xlogp); -1.6
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C6H8O8S
  IUPAC Name: (3R,4R)-4-hydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid
  Canonical SMILES: C1[C@H]([C@@H](C=C(O1)C(=O)O)O)OS(=O)(=O)O
  InChI: InChI=1S/C6H8O8S/c7-3-1-4(6(8)9)13-2-5(3)14-15(10,11)12/h1,3,5,7H,2H2,(H,8,9)(H,10,11,12)/t3-,5-/m1/s1
  InChIKey: SLBOXLMLDIGNGG-NQXXGFSBSA-N
• Cross-matching ID:
  PubChem CID: 46936854
  DrugBank ID: DB03981
  TTD ID: D0X4AL

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]

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.