PYRANTEL PAMOATE

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Synonyms
Status
Molecule Category Salt-form
UNII 81BK194Z5M
EPA CompTox DTXSID40897057

Structure

InChI Key AQXXZDYPVDOQEE-MXDQRGINSA-N
Smiles CN1CCCN=C1/C=C/c1cccs1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O
InChI
InChI=1S/C23H16O6.C11H14N2S/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2,4-6,9H,3,7-8H2,1H3/b;6-5+

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H30N2O6S
Molecular Weight 594.69
AlogP 2.5
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 15.6
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 14.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 31.41-34.84
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ancylostoma caninum
- 3.7-66 - - -
Cricetulus griseus
- - - - 31.41-34.84

Cross References

Resources Reference
ChEBI 8655
ChEMBL CHEMBL1599768
FDA SRS 81BK194Z5M
KEGG C07389
PubChem 5281033
SureChEMBL SCHEMBL41025
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