propylthiouracil

Ligand id: 6650

Name: propylthiouracil

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 73.22
Molecular weight 170.05
XLogP 1.06
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1947))
IUPAC Name
6-propyl-2-sulfanylidene-1H-pyrimidin-4-one
International Nonproprietary Names
INN number INN
4184 propylthiouracil
Synonyms
Thyreostat®
Database Links
BitterDB Ligand 120
CAS Registry No. 51-52-5
ChEMBL Ligand CHEMBL1518
DrugBank Ligand DB00550
PubChem CID 657298
RCSB PDB Ligand 3CJ
Search Google for chemical match using the InChIKey KNAHARQHSZJURB-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey KNAHARQHSZJURB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KNAHARQHSZJURB
Wikipedia Propylthiouracil
Comments
Propylthiouracil is a thiouracil-derived drug, which acts as a thyroperoxidase inhibitor. It is on the World Health Organization's List of Essential Medicines (link to 2015 list).