Details of the Drug

General Information of Drug (ID: DMDJ2O5)

• Drug Name: YM-75466
• Synonyms: YM-466 (free base); YM-60828 (free base); 2-[N-(7-Amidinonaphthalen-2-ylmethyl)-N-[4-[1-(1-iminoethyl)piperidin-4-yloxy]phenyl]sulfamoyl]acetic acid methanesulfonate

Indication

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

• #Ro5 Violations (Lipinski): 2:
  Molecular Weight; 633.7
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 10
  Hydrogen Bond Donor Count; 5
  Hydrogen Bond Acceptor Count; 11
• Chemical Identifiers:
  Formula: C28H35N5O8S2
  IUPAC Name: 2-[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl]acetic acid;methanesulfonic acid
  Canonical SMILES: CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)N(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)S(=O)(=O)CC(=O)O.CS(=O)(=O)O
  InChI: InChI=1S/C27H31N5O5S.CH4O3S/c1-18(28)31-12-10-25(11-13-31)37-24-8-6-23(7-9-24)32(38(35,36)17-26(33)34)16-19-2-3-20-4-5-21(27(29)30)15-22(20)14-19;1-5(2,3)4/h2-9,14-15,25,28H,10-13,16-17H2,1H3,(H3,29,30)(H,33,34);1H3,(H,2,3,4)
  InChIKey: YRIFGKTUAWTSFP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9874074
  TTD ID: D0G6UP

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] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800010496)
• [2] Semuloparin for the prevention of venous thromboembolic events in cancer patients. Drugs Today (Barc). 2012 Jul;48(7):451-7.