General Information of the Compound
Compound ID
CP0459839
Compound Name
CHEBI:71013
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Synonyms
2-(2-oxo-1-phenyl-5-pyridin-2-yl-pyridin-3-yl)benzonitrile
3-(2-Cyanophenyl)-5-(2-pyridyl)-1-phenyl-1,2-dihydropyridin-2-one
E 2007
E-2007
Perampanel
Perampanel (USAN)
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Structure
Formula
C23H15N3O
Molecular Weight
349.393
Canonical SMILES
O=c1c(cc(cn1-c1ccccc1)-c1ccccn1)-c1ccccc1C#N
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InChI
InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H
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InChIKey
PRMWGUBFXWROHD-UHFFFAOYSA-N
CAS
380917-97-5
Physicochemical Property
logP
4.43818
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
58.68
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 9924495
SID: 14896254
ChEMBL ID
CHEMBL1214124
DrugBank ID
DB08883
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: PT03542, Glutamate receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000470 CHO-S Cricetulus griseus (Chinese hamster)  5
1
IC50 = 243 nM
   TI
   LI
   LO
   TS
2
IC50 = 485 nM
   TI
   LI
   LO
   TS
3
IC50 = 623 nM
   TI
   LI
   LO
   TS
4
IC50 = 1180 nM
   TI
   LI
   LO
   TS
5
IC50 = 6510 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( E-2007 )
Drug Name E-2007
Company Eisai Co. Ltd.
Indication
Diabetic neuropathy
Approved
Parkinson disease
Discontinued in Phase 3
Target(s)
Glutamate receptor AMPA 1 (GRIA1)
Inhibitor
Glutamate receptor AMPA 2 (GRIA2)
Inhibitor
Glutamate receptor AMPA 3 (GRIA3)
Inhibitor
Glutamate receptor AMPA 4 (GRIA4)
Inhibitor