Details of the Drug

General Information of Drug (ID: DM1ODP6)

• Drug Name: VA-106483
• Synonyms: Fedovapagon; UNII-VX2GBO4I0V; 347887-36-9; VX2GBO4I0V; VA-106483; CHEMBL518043; Fedovapagon [INN]; SCHEMBL2547119; DTXSID40188331; MolPort-042-665-819; BDBM50246575; ZINC38471398; DB11734; NCGC00386702-01; 1,2-Pyrrolidinedicarboxamide, N2,N2-dimethyl-N1-((2-methyl-4-((2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl)phenyl)methyl)-, (2S)-; (2S)-N2,N2-dimethyl-N1-((2-Methyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepine-1-carbonyl)phenyl)methyl)pyrrolidine-1,2-dicarboxamide

Indication

Disease Entry	ICD 11	Status	REF
Nocturia	MF55	Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 462.6
  Logarithm of the Partition Coefficient (xlogp); 3.2
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C27H34N4O3
  IUPAC Name: (2S)-2-N,2-N-dimethyl-1-N-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide
  Canonical SMILES: CC1=C(C=CC(=C1)C(=O)N2CCCCC3=CC=CC=C32)CNC(=O)N4CCC[C@H]4C(=O)N(C)C
  InChI: InChI=1S/C27H34N4O3/c1-19-17-21(25(32)30-15-7-6-10-20-9-4-5-11-23(20)30)13-14-22(19)18-28-27(34)31-16-8-12-24(31)26(33)29(2)3/h4-5,9,11,13-14,17,24H,6-8,10,12,15-16,18H2,1-3H3,(H,28,34)/t24-/m0/s1
  InChIKey: RUOLFWZIFNQQGH-DEOSSOPVSA-N
• Cross-matching ID:
  PubChem CID: 10298385
  CAS Number: 347887-36-9
  UNII: VX2GBO4I0V
  DrugBank ID: DB11734
  TTD ID: D06VWL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Vasopressin V2 receptor (V2R)	TTK8R02	V2R_HUMAN	Inhibitor	[2]

References

• [1] ClinicalTrials.gov (NCT01038843) Efficacy Study of VA106483 in Males With Nocturia.. U.S. National Institutes of Health.
• [2] New benzylureas as a novel series of potent, nonpeptidic vasopressin V2 receptor agonists. J Med Chem. 2008 Dec 25;51(24):8124-34.