General Information of the Compound
Compound ID
CP0373129
Compound Name
6,7-dichloro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one
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Synonyms
6,7-dichloro-3-(4-methylpiperazin-1-yl)quinoxalin-2(1 h)-one
BDBM50361014
CHEMBL260549
SCHEMBL602698
VUF-10214
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Structure
Formula
C13H14Cl2N4O
Molecular Weight
313.188
Canonical SMILES
CN1CCN(CC1)c1nc2cc(Cl)c(Cl)cc2[nH]c1=O
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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)
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InChIKey
MFJVHWQDKIEBCM-UHFFFAOYSA-N
Physicochemical Property
logP
1.9817
Rotatable Bonds
1
Heavy Atom Count
20
Polar Areas
52.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
20

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 11301441
SID: 50082736
ChEMBL ID
CHEMBL260549
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01711, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 5.623 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  2
1
Ki = 5.623 nM
   TI
   LI
   LO
   TS
2
Ki = 6 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( VUF-10214 )
Drug Name VUF-10214
Target(s)
Histamine H3 receptor (H3R)
Inhibitor