PZQ

PRAZIQUANTEL

Created:	1999-07-08
Last modified:	2011-06-04

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1 entries where PZQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	1
Bond Count	50
Aromatic Bond Count	6

2D diagram of PZQ

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Chemical Component Summary
Name	PRAZIQUANTEL
Systematic Name (OpenEye OEToolkits)	(11bR)-2-cyclohexylcarbonyl-3,6,7,11b-tetrahydro-1H-pyrazino[6,1-a]isoquinolin-4-one
Formula	C₁₉ H₂₄ N₂ O₂
Molecular Weight	312.406
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C4N2CCc1c(cccc1)C2CN(C(=O)C3CCCCC3)C4
SMILES	CACTVS	3.341	O=C1CN(C[CH]2N1CCc3ccccc23)C(=O)C4CCCCC4
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)CCN3C2CN(CC3=O)C(=O)C4CCCCC4
Canonical SMILES	CACTVS	3.341	O=C1CN(C[C@@H]2N1CCc3ccccc23)C(=O)C4CCCCC4
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)CCN3[C@H]2CN(CC3=O)C(=O)C4CCCCC4
InChI	InChI	1.03	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/t17-/m0/s1
InChIKey	InChI	1.03	FSVJFNAIGNNGKK-KRWDZBQOSA-N

Drug Info: DrugBank

DrugBank ID	DB11749
Name	(R)-Praziquantel
Groups	investigational
Description	(R)-Praziquantel is under investigation in clinical trial NCT02271984 (Relative Bioavailability Trial of L-Praziquantel in Healthy Volunteers).
Synonyms	(R)-Praziquantel L-praziquantel (R)-(-)-praziquantel L-PZQ (-)-praziquantel
CAS number	57452-98-9

Related Resource References

Resource Name	Reference
PubChem	445900
ChEMBL	CHEMBL1235551
CCDC/CSD	SIGBUG, TELCEU01, GOYZOM, TELCAQ01, AVEHIV, LIVFED, SIGBUG01, AVEKIY, WUHQAU, CUZPIY, TELCAQ, AVEJET, ANAZAT, ANAYOG, TELDAR, AVEHER, AVEJOD, TELDIZ, TELCOE, AVEJUJ, DAJYUM, DAJZIB, DAJCAW, AVEJIX01, DAJCEA, KEQVEL, DAJZEX

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.