PRAZIQUANTEL, (R)-


Synonyms	(-)-praziquantel (r)-(-)-praziquantel (r)-praziquantel Arpraziquantel L-praziquantel L-pzq MSC-2499550A MSC2499550A Msc2499550a Praziquantel, (-)- Praziquantel, (r)-
Status
Molecule Category	UNKNOWN
UNII	WF15T5925V


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	FSVJFNAIGNNGKK-KRWDZBQOSA-N
Smiles	O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3[C@@H]2C1
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/t17-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C19H24N2O2
Molecular Weight	312.41
AlogP	2.53
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	1.0
Polar Surface Area	40.62
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	23.0

Assay Description	Organism	Bioactivity	Reference
Anthelmintic activity against sexually mature Schistosoma mansoni PR-1 adult worm assessed as parasite death incubated for overnight measured after 7 days drug wash-out period by stereomicroscopic analysis	Schistosoma mansoni	500.0 nM

Cross References

Resources	Reference
ChEMBL	CHEMBL1235551
DrugBank	DB11749
FDA SRS	WF15T5925V
PDB	PZQ
SureChEMBL	SCHEMBL16019898
ZINC	ZINC000000000655

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).