propylthiouracil

Ligand id: 6650

Name: propylthiouracil

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
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

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1947))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name
6-propyl-2-sulfanylidene-1H-pyrimidin-4-one
International Nonproprietary Names
INN number INN
4184 propylthiouracil
Synonyms
Thyreostat®
Comments
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).
Database Links
BitterDB Ligand 120
CAS Registry No. 51-52-5
ChEMBL Ligand CHEMBL1518
DrugBank Ligand DB00550
GtoPdb PubChem SID 178103263
PubChem CID 657298
RCSB PDB Ligand 3CJ
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Search UniChem for chemical match using the InChIKey KNAHARQHSZJURB-UHFFFAOYSA-N
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Wikipedia Propylthiouracil