General Information of the Compound
Compound ID
CP0316727
Compound Name
N-(2-phenylethyl)quinoxaline-2-carboxamide
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Synonyms
2-quinoxalinecarboxamide, N-(2-phenylethyl)-
AC1NRYO0
AKOS001338925
BDBM50197271
CHEMBL245820
HMS2868E05
KB-55566
MCULE-6665471272
MLS001198127
MolPort-002-738-788
N-(2-phenylethyl)-2-quinoxalinecarboxamide
N-(2-phenylethyl)quinoxalin-2-ylcarboxamide
N-(2-phenylethyl)quinoxaline-2-carboxamide
N-phenethylquinoxaline-2-carboxamide
N~2~-phenethyl-2-quinoxalinecarboxamide
SCHEMBL7453913
SMR000559426
ST4122831
STK783123
VCRCXANKNYQHIW-UHFFFAOYSA-N
ZINC4744930
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Structure
Formula
C17H15N3O
Molecular Weight
277.327
Canonical SMILES
O=C(NCCc1ccccc1)c1cnc2ccccc2n1
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InChI
InChI=1S/C17H15N3O/c21-17(18-11-10-13-6-2-1-3-7-13)16-12-19-14-8-4-5-9-15(14)20-16/h1-9,12H,10-11H2,(H,18,21)
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InChIKey
VCRCXANKNYQHIW-UHFFFAOYSA-N
Physicochemical Property
logP
2.6023
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
54.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 5300647
SID: 15270008
ChEMBL ID
CHEMBL245820
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: PT02444, Metabotropic glutamate receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 69 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-phenethylquinoxaline-2-carboxamide )
Drug Name N-phenethylquinoxaline-2-carboxamide
Target(s)
Metabotropic glutamate receptor 1 (mGluR1)
Inhibitor