Details of the Drug

General Information of Drug (ID: DMJPD06)

• Drug Name: Lmw heparin
• Synonyms: Fragmin; Heparinin; MolPort-042-652-620; Logiparin (TN); Sandoparin (TN)

Indication

Disease Entry	ICD 11	Status	REF
Coagulation defect	3B10.0	Approved	[1]
Hematologic disease	3C0Z	Approved	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 591.5
  Logarithm of the Partition Coefficient (xlogp); -5.6
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 21
• Chemical Identifiers:
  Formula: C12H17NO20S3-4
  IUPAC Name: (4S,6R)-6-[(2R,4R)-4,6-dihydroxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-5-sulfonatooxyoxane-2-carboxylate
  Canonical SMILES: C([C@@H]1C([C@@H](C(C(O1)O)NS(=O)(=O)[O-])O)O[C@H]2C([C@H](C(C(O2)C(=O)[O-])O)O)OS(=O)(=O)[O-])OS(=O)(=O)[O-]
  InChI: InChI=1S/C12H21NO20S3/c14-4-3(13-34(20,21)22)11(19)30-2(1-29-35(23,24)25)7(4)31-12-9(33-36(26,27)28)6(16)5(15)8(32-12)10(17)18/h2-9,11-16,19H,1H2,(H,17,18)(H,20,21,22)(H,23,24,25)(H,26,27,28)/p-4/t2-,3?,4-,5?,6+,7?,8?,9?,11?,12-/m1/s1
  InChIKey: OHJKXVLJWUPWQG-IUYNYSEKSA-J
• Cross-matching ID:
  PubChem CID: 25244225
  TTD ID: D08PSU
• Repurposed Drugs (RPD): Click to Jump to the Detailed RPD Information of This Drug

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	Modulator	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Coagulation defect
• ICD Disease Classification: 3B10.0

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] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [2] Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77.