Details of the Drug

General Information of Drug (ID: DMADEOQ)

Drug Name
VUF-10214
Synonyms VUF-10214; CHEMBL260549; SCHEMBL602698; BDBM50361014; 6,7-dichloro-3-(4-methylpiperazin-1-yl)quinoxalin-2(1 h)-one
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) 313.18
Logarithm of the Partition Coefficient (xlogp) 1.8
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C13H14Cl2N4O
IUPAC Name
6,7-dichloro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one
Canonical SMILES
CN1CCN(CC1)C2=NC3=CC(=C(C=C3NC2=O)Cl)Cl
InChI
InChI=1S/C13H14Cl2N4O/c1-18-2-4-19(5-3-18)12-13(20)17-11-7-9(15)8(14)6-10(11)16-12/h6-7H,2-5H2,1H3,(H,17,20)
InChIKey
MFJVHWQDKIEBCM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11301441
ChEBI ID
CHEMBL260549
TTD ID
D0G3RN
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histamine H3 receptor (H3R) TT9JNIC HRH3_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 H3 receptor (H3R) DTT HRH3 3.62E-02 -0.09 -0.22
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.