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
Structure
3D MOL 2D MOL
#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
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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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.