PYRANTEL PAMOATE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 81BK194Z5M

Structure
InChI Key AQXXZDYPVDOQEE-MXDQRGINSA-N
Smile 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
Hydrogen Bond Donor 0.0
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

Indications

Mesh Heading Maximum Phase Reference
Ancylostomiasis; Communicable Diseases; Hookworm Infections; Infection Phase 4 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 8655
ChEMBL CHEMBL1599768
EPA CompTox DTXSID40897057
FDA SRS 81BK194Z5M
KEGG C07389
PubChem 5281033
SureChEMBL SCHEMBL41025
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