General Information of the Compound
Compound ID
CP0087489
Compound Name
6-(4-(3,4-dimethoxybenzoyl)piperazin-1-yl)-3,4-dihydroquinolin-2(1H)-one
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Synonyms
1-(1,2,3,4-Tetrahydro-2-oxo-6-quinolyl)-4-veratroylpiperazine
3,4-Dihydro-6-(4-(3,4-dimethoxybenzoyl)-1-piperazinyl)-2(1H)-quinolinone
5COW40EV8M
6-(4-(3,4-Dimethoxybenzoyl)-1-piperazinyl)-3,4-dihydro-2(1H)-
6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
81840-15-5
Arkin
Arkin-Z
BRN 5644229
CCRIS 1451
CHEMBL17423
DRG-0210
OPC 8212
OPC-8212
Piteranometozine
UNII-5COW40EV8M
VESNARINONE
Vesnarinona [Spanish]
Vesnarinone [USAN:INN:JAN]
Vesnarinonum [Latin]
vesnarinone
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Structure
Formula
C22H25N3O4
Molecular Weight
395.459
Canonical SMILES
COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2NC(=O)CCc2c1
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InChI
InChI=1S/C22H25N3O4/c1-28-19-7-3-16(14-20(19)29-2)22(27)25-11-9-24(10-12-25)17-5-6-18-15(13-17)4-8-21(26)23-18/h3,5-7,13-14H,4,8-12H2,1-2H3,(H,23,26)
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InChIKey
ZVNYJIZDIRKMBF-UHFFFAOYSA-N
CAS
81840-15-5
Physicochemical Property
logP
2.5509
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
71.11
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 5663
SID: 14781006
ChEMBL ID
CHEMBL17423
DrugBank ID
DB12082
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: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1096.48 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1096.48 nM
2 IC50 = 18000 nM
Clinical Information about the Compound
Drug 1 ( VESNARINONE )
Drug Name VESNARINONE
Indication
Cardiac failure
Approved
Target(s)
Voltage-gated potassium channel Kv11.1 (KCNH2)
Inhibitor
Phosphodiesterase 3A (PDE3A)
Inhibitor