Details of the Drug

General Information of Drug (ID: DM89PMC)

Drug Name
VUF-10148
Synonyms
VUF-10148; CHEMBL261551; 1001065-53-7; VUF 10148; 3-Benzyl-2-(4-methylpiperazinyl)-quinoxaline; SCHEMBL602972; MolPort-027-564-855; PQQUQVYOCGJWAX-UHFFFAOYSA-N; KS-00002WX1; ZINC29054164; BDBM50412496; AKOS016340709; MG-0235
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 318.4
Logarithm of the Partition Coefficient (xlogp) 3.4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C20H22N4
IUPAC Name
2-benzyl-3-(4-methylpiperazin-1-yl)quinoxaline
Canonical SMILES
CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2CC4=CC=CC=C4
InChI
InChI=1S/C20H22N4/c1-23-11-13-24(14-12-23)20-19(15-16-7-3-2-4-8-16)21-17-9-5-6-10-18(17)22-20/h2-10H,11-15H2,1H3
InChIKey
PQQUQVYOCGJWAX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24759623
TTD ID
D03SNI

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histamine H1 receptor (H1R) TTTIBOJ HRH1_HUMAN Inhibitor [1]
Histamine H2 receptor (H2R) TTQHJ1K HRH2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Histamine H1 receptor (H1R) DTT HRH1 6.74E-01 0.13 0.43
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Fragment based design of new H4 receptor-ligands with anti-inflammatory properties in vivo. J Med Chem. 2008 Apr 24;51(8):2457-67.