Details of the Drug

General Information of Drug (ID: DMH0C8J)

• Drug Name: GW-813893
• Synonyms: Factor Xa inhibitors, GSK; Factor Xa inhibitors, GlaxoSmithKline; 813893

Indication

Disease Entry	ICD 11	Status	REF
Thrombosis	DB61-GB90	Phase 2	[1]

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 448
  Logarithm of the Partition Coefficient (xlogp); 1.2
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C17H22ClN3O5S2
  IUPAC Name: (E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
  Canonical SMILES: C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)/C=C/C3=CC=C(S3)Cl
  InChI: InChI=1S/C17H22ClN3O5S2/c1-12(16(22)20-7-9-26-10-8-20)21-6-4-14(17(21)23)19-28(24,25)11-5-13-2-3-15(18)27-13/h2-3,5,11-12,14,19H,4,6-10H2,1H3/b11-5+/t12-,14-/m0/s1
  InChIKey: ACEFOQMQINFMRW-DYCFVMESSA-N
• Cross-matching ID:
  PubChem CID: 9911502
  CAS Number: 478644-12-1
  DrugBank ID: DB07278
  TTD ID: D0ID3W

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	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Thrombosis
• ICD Disease Classification: DB61-GB90

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] ClinicalTrials.gov (NCT00541320) Phase IIa Venous Thromboembolism (VTE) Prevention Study In Total Knee Replacement (TKR). U.S. National Institutes of Health.
• [2] Semuloparin for the prevention of venous thromboembolic events in cancer patients. Drugs Today (Barc). 2012 Jul;48(7):451-7.