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

General Information of Drug (ID: DR5117)
Drug Name
Propylthiouracil
Synonyms
propylthiouracil; 51-52-5; 6-Propyl-2-thiouracil; Propacil; Prothyran; Prothiurone; Procasil; Propycil; Thiuragyl; Protiural; Prothiucil; Prothycil; Propyl-Thiorist; Propyl-Thyracil; 2-Mercapto-6-propylpyrimidin-4-ol; 6-N-Propylthiouracil; Propythiouracil; Propilthiouracil; Propyl-Thiorit; Propylthiorit; 6-Propylthiouracil; Propylthiouracile; Thyreostat II; 6-propyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one; Propiltiouracilo; 6-N-Propyl-2-thiouracil; 6-Thio-4-propyluracil; PTU (thyreostatic); Propylthiouracilum; 4-Propyl-2-thiouracil; Procasil; Propiltiouracile; PROPYL THIOURACIL; Propiltiouracile [DCIT]; Thyreos tat ii; HC210060; Propiltiouracilo [INN-Spanish]; Propylthiouracil (TN); Propylthiouracile [INN-French]; Propylthiouracilum [INN-Latin]; Ptu(thyreostatic); T0517-6237; Thyreostat propyl-thyracil; Propylthiouracil [INN:BAN:JAN]; Propylthiouracil (JP15/USP/INN); 2,3-Dihydro-6-propyl-2-thioxo-4(1H)-pyrimidinone; 2-Mercapto-4-hydroxy-6-n-propylpyrimidine; 2-Mercapto-6-propyl-4-pyrimidone; 2-Mercapto-6-propylpyrimid-4-one; 2-Thio-4-oxo-6-propyl-1,3-pyrimidine; 2-Thio-6-propyl-1,3-pyrimidin-4-one; 4-Hydroxy-2-mercapto-6-propylpyrimidine; 6 Propyl 2 Thiouracil; 6-(n-Propyl)-2-thiouracil; 6-Prop yl-2-thiouracil; 6-Propil-tiouracile; 6-Propil-tiouracile [Italian]; 6-Propyl-2-thio-2,4(1H,3H)-pyrimidinedione; 6-Propyl-2-thio-2,4(1H,3H)pyrimidinedione; 6-n-PROPYL-2-MERCAPTO-4-HYDROXYPYRIMIDINE; 6-propyl-2 thiouracil; 6-propyl-2-sulfanylidene-1H-pyrimidin-4-one; 6-propyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one; 6-propyl-2-thiopyrimidine-2,4(1H,3H)-dione; Propyl thiouracile
Indication Thyrotoxicosis [ICD11: 5A02] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 170.23 Topological Polar Surface Area 73.2
Heavy Atom Count 11 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
657298
ChEBI ID
CHEBI:8502
CAS Number
51-52-5
TTD Drug ID
D00MIN
Formula
C7H10N2OS
Canonical SMILES
CCCC1=CC(=O)NC(=S)N1
InChI
InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)
InChIKey
KNAHARQHSZJURB-UHFFFAOYSA-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
Propylthiouracil N-beta-d-gkucuronide DM018515 N. A. Unclear - Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010565 Propylthiouracil Propylthiouracil N-beta-d-gkucuronide Unclear - Unclear Unclear [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
UDP-glucuronosyltransferase 1A9 (UGT1A9) DME0042 Homo sapiens
UD19_HUMAN
2.4.1.17
[2]
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6650).
2 Simultaneous Quantification of Propylthiouracil and Its N--d Glucuronide by HPLC-MS/MS: Application to a Metabolic Study

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