PROPYLTHIOURACIL

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC H03BA02
UNII 721M9407IY
EPA CompTox DTXSID5021209

Structure

InChI Key KNAHARQHSZJURB-UHFFFAOYSA-N
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10N2OS
Molecular Weight 170.24
AlogP 1.38
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 48.65
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 11.0

Pharmacology

Mechanism of Action Action Reference
Thyroid peroxidase inhibitor INHIBITOR PubMed Wikipedia FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 29
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 79.91-90.71
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 79.91-90.71
Rattus norvegicus
- - - - 56.5-81

Cross References

Resources Reference
ChEBI 8502
ChEMBL CHEMBL1518
DrugBank DB00550
DrugCentral 2308
FDA SRS 721M9407IY
Human Metabolome Database HMDB0014690
Guide to Pharmacology 6650
KEGG C07569
PDB 3CJ
PharmGKB PA451156
PubChem 657298
SureChEMBL SCHEMBL41239
ZINC ZINC000004640636
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