ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL976
CHEMBL976
Compound Name PRAZIQUANTEL
ChEMBL Synonyms PRAZIQUANTEL | EMBAY 8440 | Droncit | BILTRICIDE | Cestocur | Cesol | EMBAY-8440
Max Phase 4 (Approved)
Trade Names BILTRICIDE | Droncit | Cestocur | Cesol
Molecular Formula C19H24N2O2

Additional synonyms for CHEMBL976 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(C1CCCCC1)N2CC3N(CCc4ccccc34)C(=O)C2
Standard InChI InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17 ...
Download InChI
Standard InChI Key FSVJFNAIGNNGKK-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • DrugMatrix
  • MMV Pathogen Box
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL976

Molecule Features

CHEMBL976 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Voltage-activated calcium channel beta 1 subunit blocker Voltage-activated calcium channel beta 1 subunit PubMed PubMed
Voltage-activated calcium channel beta 2 subunit blocker Voltage-activated calcium channel beta 2 subunit PubMed PubMed

Clinical Data

ClinicalTrials.gov PRAZIQUANTEL
The Cochrane Collaboration PRAZIQUANTEL

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL976. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL3227 Metabotropic glutamate receptor 5 Homo sapiens 0.813
CHEMBL1902 FK506-binding protein 1A Homo sapiens 0.763
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.626
CHEMBL1850 Dopamine D5 receptor Homo sapiens 0.541
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.469
CHEMBL3105 Poly [ADP-ribose] polymerase-1 Homo sapiens 0.459
CHEMBL5462 Baculoviral IAP repeat-containing protein 2 Homo sapiens 0.443
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 0.283
CHEMBL3223 Serotonin 7 (5-HT7) receptor Rattus norvegicus 0.240



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3227 Metabotropic glutamate receptor 5 Homo sapiens 0.990
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.945
CHEMBL265 Dopamine D1 receptor Rattus norvegicus 0.805
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 0.783
CHEMBL3105 Poly [ADP-ribose] polymerase-1 Homo sapiens 0.622
CHEMBL1850 Dopamine D5 receptor Homo sapiens 0.543
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.521
CHEMBL6084 Acetylcholine-binding protein Lymnaea stagnalis 0.493
CHEMBL2868 Vasopressin V1a receptor Rattus norvegicus 0.406
CHEMBL5335 Baculoviral IAP repeat-containing protein 3 Homo sapiens 0.401
CHEMBL4701 Histamine H1 receptor Rattus norvegicus 0.400
CHEMBL3223 Serotonin 7 (5-HT7) receptor Rattus norvegicus 0.357
CHEMBL1902 FK506-binding protein 1A Homo sapiens 0.346
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.345
CHEMBL4153 Sigma-1 receptor Cavia porcellus 0.313
CHEMBL5462 Baculoviral IAP repeat-containing protein 2 Homo sapiens 0.269
CHEMBL3766 Vasopressin V2 receptor Rattus norvegicus 0.211

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
312.4 312.1838 2.48 1 40.62 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.66 2.66 1 23 0.8

Structural Alerts

There are no structural alerts for CHEMBL976

Compound Cross References

ATC P - ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P02 - ANTHELMINTICS
P02B - ANTITREMATODALS
P02BA - Quinoline derivatives and related substances
P02BA01 - praziquantel

ChemSpider ChemSpider:FSVJFNAIGNNGKK-UHFFFAOYSA-N
DailyMed praziquantel
PubChem SID: 144204211 SID: 144209148 SID: 144213244 SID: 170464906 SID: 174006188 SID: 26747203 SID: 50105220 SID: 85231186 SID: 855582 SID: 858012 SID: 90341571
Wikipedia Praziquantel

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL976



ACToR 55268-74-1 135526-78-2 57452-31-0
Atlas Praziquantel
BindingDB 74574
Brenda 13867
ChEBI 91583
DrugBank DB01058
DrugCentral 2241
eMolecules 511675
EPA CompTox Dashboard DTXSID9021182
Human Metabolome Database HMDB0015191
IBM Patent System 898EC510E895655E3D502C57A01B6D72
KEGG Ligand C07367
LINCS LSM-1387
Mcule MCULE-1638759858
NIH Clinical Collection SAM002264632
Nikkaji J457.026J J2.787A
NMRShiftDB 20109353
PharmGKB PA164764583
PubChem 4891
PubChem: Drugs of the Future 12015327
PubChem: Thomson Pharma 15272465
Selleck Praziquantel(Biltricide)
SureChEMBL SCHEMBL16019896 SCHEMBL44153

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/FSVJFNAIGNNGKK-UHFFFAOYSA-N spacer
spacer