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)
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Molecular structure representations generated using Open Babel