Details of the Drug

General Information of Drug (ID: DM1V0MD)

• Drug Name: RPR-120844
• Synonyms: RPR-120844; RPR120844; sulfonamidopyrrolidinone; CHEMBL84638; CHEMBL331943; BDBM13279; 4-{[(3S)-3-[(7-methoxynaphthalene-2-)(methyl)sulfonamido]-2-oxopyrrolidin-1-yl]methyl}thiophene-2-carboximidamide

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 472.6
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C22H24N4O4S2
  IUPAC Name: 4-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide
  Canonical SMILES: CN([C@H]1CCN(C1=O)CC2=CSC(=C2)C(=N)N)S(=O)(=O)C3=CC4=C(C=CC(=C4)OC)C=C3
  InChI: InChI=1S/C22H24N4O4S2/c1-25(19-7-8-26(22(19)27)12-14-9-20(21(23)24)31-13-14)32(28,29)18-6-4-15-3-5-17(30-2)10-16(15)11-18/h3-6,9-11,13,19H,7-8,12H2,1-2H3,(H3,23,24)/t19-/m0/s1
  InChIKey: YQYYTNCSSDRJHZ-IBGZPJMESA-N
• Cross-matching ID:
  PubChem CID: 10322586
  TTD ID: D00KJP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Vitamin K-dependent protein C (PROC)	TTZUXYS	PROC_HUMAN	Inhibitor	[1]

References

• [1] Design and structure-activity relationships of potent and selective inhibitors of blood coagulation factor Xa. J Med Chem. 1999 Sep 9;42(18):3557-71.