Details of the Drug

General Information of Drug (ID: DMZ30JT)

Drug Name
Oxantel pamoate
Synonyms
Telopar; Oxantel embonate; CP-14445; Oxantel pamoate (USAN); Telopar (TN); CP-14445-16; Phenol, 3-(2-(1,4,5,6-tetrahydro-1-methyl-2-pyrimidinyl)ethenyl), (E)-, 4,4'-methylenebis(3-hydroxy-2-naphthalenecarboxylate) (1:1) (salt); 4,4'-Methylenebis(3-hydroxy-2-naphthoic) acid, compound with (E)-3-(2-(1,4,5,6-tetrahydro-1-methylpyrimidin-2-yl)vinyl)phenol (1:1)
Indication
Disease Entry ICD 11 Status REF
Trichuris trichiura infection 1F6G Approved [1]
Therapeutic Class
Anthelmintics
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
1		 Molecular Weight 604.6
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 6
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 8
Chemical Identifiers
Formula
C36H32N2O7
IUPAC Name
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol
Canonical SMILES
CN1CCCN=C1/C=C/C2=CC(=CC=C2)O.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O
InChI
InChI=1S/C23H16O6.C13H16N2O/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;1-15-9-3-8-14-13(15)7-6-11-4-2-5-12(16)10-11/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2,4-7,10,16H,3,8-9H2,1H3/b;7-6+
InChIKey
CCOAINFUFGBHBA-UETGHTDLSA-N
Cross-matching ID
PubChem CID
5281086
ChEBI ID
CHEBI:7821
CAS Number
68813-55-8
TTD ID
D08PCE
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial Fumarate reductase flavoprotein (Bact frdA) TTHDSE2 FRDA_HELPY Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Fumarate reductase is essential for Helicobacter pylori colonization of the mouse stomach. Microb Pathog. 2000 Nov;29(5):279-87.