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
• #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
  TTD ID: D0G3RN

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 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

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.