Details of the Drug

General Information of Drug (ID: DM61VHF)

• Drug Name: RPR-118071
• Synonyms: RPR-118071; CHEMBL93796; 186546-85-0; Benzenecarboximidamide,3-[[(3S)-3-[(2-naphthalenylsulfonyl)amino]-2-oxo-1-pyrrolidinyl]methyl]-; BDBM50080477; ZINC13800223; KB-75023; 3-[3-((S)-Naphthalene-2-sulfonylamino)-2-oxo-pyrrolidin-1-ylmethyl]-benzamidine; 3-[[3beta-[[(2-Naphthyl)sulfonyl]amino]-2-oxopyrrolizino]methyl]benzamidine

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); 422.5
  Logarithm of the Partition Coefficient (xlogp); 2.3
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C22H22N4O3S
  IUPAC Name: 3-[[(3S)-3-(naphthalen-2-ylsulfonylamino)-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide
  Canonical SMILES: C1CN(C(=O)[C@H]1NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)CC4=CC(=CC=C4)C(=N)N
  InChI: InChI=1S/C22H22N4O3S/c23-21(24)18-7-3-4-15(12-18)14-26-11-10-20(22(26)27)25-30(28,29)19-9-8-16-5-1-2-6-17(16)13-19/h1-9,12-13,20,25H,10-11,14H2,(H3,23,24)/t20-/m0/s1
  InChIKey: NTFWSCPFRKNWEI-FQEVSTJZSA-N
• Cross-matching ID:
  PubChem CID: 10574241
  ChEBI ID: CHEMBL93796
  TTD ID: D0MQ6K
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

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.