Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1371)
Drug Name
Pyrantel
Synonyms
PYRANTEL; Latin]; Pyrequan; Strongid; (E)-1-Methyl-2-(2-(thiophen-2-yl)vinyl)-1,4,5,6-tetrahydropyrimidine; Pirantel; Pirantel [INN-Spanish]; Pirantele; Pirantele [DCIT]; Pyrantel [INN:BAN]; Pyrantelum; Pyrantelum [INN-1-methyl-2-[(E)-2-(2-thienyl)vinyl]-5,6-dihydro-4H-pyrimidine; 15686-83-6; 4QIH0N49E7; CHEBI:8654; E-1,4,5,6-Tetrahydro-1-methyl-2-(2-(2-thienyl)vinyl)pyrimidine; EINECS 239-774-1; HSDB 3252; Pin-X; Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-(2-(2-thienyl)vinyl)-, (E)-; UNII-4QIH0N49E7
Indication Hookworm disease [ICD11: 1F68] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 206.31 Topological Polar Surface Area 43.8
Heavy Atom Count 14 Rotatable Bond Count 2
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
708857
ChEBI ID
CHEBI:8654
CAS Number
15686-83-6
TTD Drug ID
D03PTH
Formula
C11H14N2S
Canonical SMILES
CN1CCCN=C1C=CC2=CC=CS2
InChI
1S/C11H14N2S/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h2,4-6,9H,3,7-8H2,1H3/b6-5+
InChIKey
YSAUAVHXTIETRK-AATRIKPKSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Unclear DM009999 N. A. Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005205 Pyrantel Unclear Unclear CYP2D6 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
References
1 ClinicalTrials.gov (NCT03278431) Triple Combinations Against Hookworm Infections in Lao.
2 Identification of human cytochrome P(450)s that metabolise anti-parasitic drugs and predictions of in vivo drug hepatic clearance from in vitro data. Eur J Clin Pharmacol. 2003 Sep;59(5-6):429-42.

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