propylthiouracil   Click here for help

GtoPdb Ligand ID: 6650

Synonyms: Thyreostat®
Approved drug PDB Ligand
propylthiouracil is an approved drug (FDA (1947))
Compound class: Synthetic organic
Comment: Propylthiouracil is a thiouracil-derived drug, which acts as a thyroperoxidase inhibitor.
Propylthiouracil is on the World Health Organisation's List of Essential Medicines. Click here to access the pdf version of the WHO's 21st Essential Medicines list (2019).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 80.74
Molecular weight 170.05
XLogP 1.85
No. Lipinski's rules broken 0
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Canonical SMILES CCCc1cc(=O)[nH]c(=S)[nH]1
Isomeric SMILES CCCc1cc(=O)[nH]c(=S)[nH]1
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)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1947))
WHO Essential Medicine WHO Essential Medicines List (EML) (23rd List, 2023). Access PDF version.
Click to view more information about the WHO Model Lists of Essential Medicines.
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
4184 propylthiouracil
Synonyms Click here for help
Database Links Click here for help
Specialist databases
GPCRdb Ligand propylthiouracil
Other databases
BitterDB Ligand 120
CAS Registry No. 51-52-5
ChEMBL Ligand CHEMBL1518
DrugBank Ligand DB00550
DrugCentral Ligand 2308
GtoPdb PubChem SID 178103263
PubChem CID 657298
Search Google for chemical match using the InChIKey KNAHARQHSZJURB-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey KNAHARQHSZJURB-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey KNAHARQHSZJURB-UHFFFAOYSA-N
Wikipedia Propylthiouracil