Details of the Drug

General Information of Drug (ID: DM7VGOC)

• Drug Name: YM60828
• Synonyms: YM-60828; YM 60828; 201933-41-7; CHEMBL20240; 179755-65-8; {[(7-Carbamimidoylnaphthalen-2-Yl)methyl][4-({1-[(1e)-Ethanimidoyl]piperidin-4-Yl}oxy)phenyl]sulfamoyl}acetic Acid; SCHEMBL676753; DTXSID80430967; ZINC3952416; BDBM50084617; ACM179755658; KB-81529; FT-0675886; 2-[[[[7-(Aminoiminomethyl)-2-naphthalenyl]methyl][4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]amino]sulfonyl]acetic Acid Dihydrochloride; [[4-[(1-Acetimidoylpiperidin-4-yl)oxy]phenyl][(7-amidino-2-naphthyl)methyl]sulfamoyl]acetic acid; 0CB
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 537.6
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C27H31N5O5S
  IUPAC Name: 2-[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl]acetic 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
  InChI: InChI=1S/C27H31N5O5S/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/h2-9,14-15,25,28H,10-13,16-17H2,1H3,(H3,29,30)(H,33,34)
  InChIKey: NPBKHEMDWREFJJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9807238
  CAS Number: 179755-65-8
  TTD ID: D0J9UI
  VARIDT ID: DR00747

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	[1]

Molecular Expression Atlas of This Drug

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] Novel approaches to the treatment of thrombosis. Trends Pharmacol Sci. 2002 Jan;23(1):25-32.