General Information of the Compound
Compound ID
CP0042335
Compound Name
MLS000038419
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Synonyms
(+-)-2-(Cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino(2,1a)isoquinolin-4-one
(11bS)-2-(cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one
2-(Cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino(2,1-a)isoquinolin-4-one
2-(Cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]-isoquinolin-4-one
2-(Cyclohexylcarbonyl)-1,2,3,6,7-11b-hexahydro-4H-pyrazino(2,1a)isoquinolin-4-one
2-(Cyclohexylcarbonyl)-1,2,3,6,7-11b-hexahydro-4H-pyrazinoe(2,1a)isoquinolin-4-one
2-(cyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
2-(cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one
2-Cyclohexanecarbonyl-1,2,3,6,7,11b-hexahydro-pyrazino[2,1-a]isoquinolin-4-one
2-Cyclohexylcarbonyl-1,2,3,6,7,11b-hexahydro-4H-pyrazino(2,1-a) isoquinolin-4-one
8440, EMBAY
Azinox
Bay-8440
Bayer Brand of Praziquantel
Biliricide
Biltricide
Biltricide (TN)
Biltricide, Droncit, Praziquantel
Cesol
Cisticid
Cutter
Cutter Tape Tabs
Cysticide
Droncit
Drontsit
EMBAY-8440
Embay 8440
Merck Brand of Praziquantel
NPFAPI-02
P 4668
Prasiquantel
Praziquantel
Praziquantel (JAN/USP/INN)
Praziquantel [USAN:INN:BAN:JAN]
Praziquantel, (+-)-Isomer
Praziquantel, (R)-Isomer
Praziquantel, (S)-Isomer
Praziquantelum
Praziquantelum [INN-Latin]
Pyquiton
Traziquantel
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Structure
Formula
C19H24N2O2
Molecular Weight
312.413
Canonical SMILES
O=C(C1CCCCC1)N1CC2N(CCc3ccccc23)C(=O)C1
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InChI
InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2
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InChIKey
FSVJFNAIGNNGKK-UHFFFAOYSA-N
CAS
55268-74-1
57452-31-0
135526-78-2
Physicochemical Property
logP
2.5349
Rotatable Bonds
1
Heavy Atom Count
23
Polar Areas
40.62
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 4891
SID: 15272465
ChEMBL ID
CHEMBL976
DrugBank ID
DB01058
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: PT04542, Bile salt export pump
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 67100 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Praziquantel )
Drug Name Praziquantel
Company Bayer Pharmaceuticals Corporation
Indication
Flatworm infection
Approved
Target(s)
Glutathione-dependent PGD synthase (HPGDS)
Inhibitor