General Information of the Compound
Compound ID
CP0054727
Compound Name
1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one
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Synonyms
1'-Butyl-3'-chloro-4-phenyl-3,4,5,6-tetrahydro-2H,1 'H-[1,4']bipyridinyl-2'-one
1'-Butyl-3'-chloro-4-phenyl-3,4,5,6-tetrahydro-2H,1'H-(1,4')bipyridinyl-2'-one
1'-Butyl-3'-chloro-4-phenyl-3,4,5,6-tetrahydro-2H,1'H-[1,4']bipyridinyl-2'-one
1'-Butyl-3'-chloro-4-phenyl-3,4,5,6-tetrahydro-2H,1'H-[1,4]bipyridinyl-2'-one
1-Butyl-3-chloro-4-(4-phenyl-1-piperidinyl)-(1H)-pyridone
1-butyl-3-chloranyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one
1-butyl-3-chloro-4-(4-phenyl-1-piperidinyl)-2(1H)-Pyridinone
1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2(1H)-one
1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one
1127498-03-6
2(1H)-Pyridinone, 1-butyl-3-chloro-4-(4-phenyl-1-piperidinyl)-
612BYT76F3
A894527
AC-35478
ADX 71149
ADX-71149
ADX-71149ADX-71149
ADX71149
BCP23709
BDBM50051408
CHEMBL3337527
CS-3357
CVB49803
DB12059
DTXSID601032323
EX-A2902
F85059
FT-0752754
GTPL8946
HY-15748
HYOGJHCDLQSAHX-UHFFFAOYSA-N
HZR
JNJ 40411813
JNJ-40411813
JNJ40411813
MS-25297
NCGC00485897-01
Q27895859
SB16990
SCHEMBL1035416
UNII-612BYT76F3
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Structure
Formula
C20H25ClN2O
Molecular Weight
344.886
Canonical SMILES
CCCCn1ccc(N2CCC(CC2)c2ccccc2)c(Cl)c1=O
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InChI
InChI=1S/C20H25ClN2O/c1-2-3-12-23-15-11-18(19(21)20(23)24)22-13-9-17(10-14-22)16-7-5-4-6-8-16/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3
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InChIKey
HYOGJHCDLQSAHX-UHFFFAOYSA-N
CAS
1127498-03-6
Physicochemical Property
logP
4.6858
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
25.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 25195461
SID: 57305022
ChEMBL ID
CHEMBL3337527
DrugBank ID
DB12059
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: PT01748, Metabotropic glutamate receptor 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  7
1
EC50 = 65 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
EC50 = 77 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
3
EC50 = 265 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
4
EC50 = 1350 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
5
EC50 = 1630 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
6
EC50 = 2000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
7
EC50 = 2570 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
EC50 = 147 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 68 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 180 nM
Clinical Information about the Compound
Drug 1 ( ADX71149 )
Drug Name ADX71149
Company Addex Pharmaceuticals; Johnson & Johnson Pharmaceutical
Indication
Epilepsy
Phase 1
Anxiety disorder
Discontinued in Phase 2
Psychiatric disorder
Discontinued in Phase 2
Target(s)
Metabotropic glutamate receptor 2 (mGluR2)
 Target Info 
Modulator
Drug 2 ( JNJ-40411813 )
Drug Name JNJ-40411813
Company JOHNSON & JOHNSON
Indication
Epilepsy
Phase 2