Details of the Drug

General Information of Drug (ID: DMWS3FH)

• Drug Name: Fondaparinux sodium
• Synonyms: Arixtra; Quixidar; Fondaparin sodium; Arixtra (TN); GSK-576428; SR-90107; SR-90107A; Fondaparinux sodium (JAN/USAN/INN)

Indication

Disease Entry	ICD 11	Status	REF
Deep vein thrombosis	BD71	Approved	[1]
Myocardial infarction	BA41-BA43	Approved	[1]
Venous thrombosis	BA43	Approved	[2]

• Therapeutic Class: Anticoagulants
• Affected Organisms: Humans and other mammals
• ATC Code:
  B01AX05: Fondaparinux sodium
  B01AX: Other antithrombotic agents
  B01A: ANTITHROMBOTIC AGENTS
  B01: ANTITHROMBOTIC AGENTS
  B: BLOOD AND BLOOD FORMING ORGANS
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 4:
  Molecular Weight; 1728.1
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 20
  Hydrogen Bond Donor Count; 9
  Hydrogen Bond Acceptor Count; 52
• ADMET Property:
  Clearance: The drug present in the plasma can be removed from the body at the rate of 0.07 mL/min/kg [3]
  Half-life: The concentration or amount of drug in body reduced by one-half in 19.3 hours [3]
  Unbound Fraction: The unbound fraction of drug in plasma is 0.21% [3]
• Chemical Identifiers:
  Formula: C31H43N3Na10O49S8
  IUPAC Name: decasodium;(2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylate
  Canonical SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)[O-])O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)[O-])O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)[O-])O)O)NS(=O)(=O)[O-])O)O)OS(=O)(=O)[O-])NS(=O)(=O)[O-])O)OS(=O)(=O)[O-])O)NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
  InChI: InChI=1S/C31H53N3O49S8.10Na/c1-69-27-9(33-85(48,49)50)13(37)17(6(74-27)3-71-88(57,58)59)76-31-22(83-91(66,67)68)16(40)21(24(81-31)26(43)44)79-29-10(34-86(51,52)53)19(82-90(63,64)65)18(7(75-29)4-72-89(60,61)62)77-30-15(39)14(38)20(23(80-30)25(41)42)78-28-8(32-84(45,46)47)12(36)11(35)5(73-28)2-70-87(54,55)56;;;;;;;;;;/h5-24,27-40H,2-4H2,1H3,(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;;;;;;;/q;10*+1/p-10/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20+,21+,22-,23+,24-,27+,28-,29-,30-,31-;;;;;;;;;;/m1........../s1
  InChIKey: XEKSTYNIJLDDAZ-JASSWCPGSA-D
• Cross-matching ID:
  PubChem CID: 636380
  ChEBI ID: CHEMBL1200644
  CAS Number: 114870-03-0
  UNII: J177FOW5JL
  DrugBank ID: DB00569
  TTD ID: D0NE9T
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug
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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Coagulation factor Xa (F10)	TTCIHJA	FA10_HUMAN	Inhibitor	[4]

Molecular Expression Atlas of This Drug

• The Studied Disease: Deep vein thrombosis
• ICD Disease Classification: BD71

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Coagulation factor Xa (F10)	DTT	F10	4.84E-02	-0.28	-0.9

References

• [1] Fondaparinux sodium FDA Label
• [2] Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77.
• [3] Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
• [4] Biochemistry and clinical pharmacology of new anticoagulant agents. Pathophysiol Haemost Thromb. 2002 Sep-Dec;32(5-6):218-24.