Structure

InChI Key PMRYVIKBURPHAH-UHFFFAOYSA-N
Smile Cn1cc[nH]c1=S
InChI
InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6N2S
Molecular Weight 114.17
AlogP 1.08
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 20.72
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 7.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Thyroid peroxidase inhibitor DailyMed
Primary Target
thyroid peroxidase

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Graves Ophthalmopathy 3 D049970 ClinicalTrials
Dermatomyositis 2 D003882 ClinicalTrials
Glioblastoma 2 D005909 ClinicalTrials

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
10.01
Blood and lymphatic system disorders
7.62
Musculoskeletal and connective tissue disorders
6.14
Nervous system disorders
5.99
Gastrointestinal disorders
5.93
Immune system disorders
5.84
Skin and subcutaneous tissue disorders
5.77
Metabolism and nutrition disorders
5.63
Investigations
5.4
Respiratory, thoracic and mediastinal disorders
5.08
Psychiatric disorders
5.03
Endocrine disorders
4.88
Injury, poisoning and procedural complications
4.59
Vascular disorders
3.94
Infections and infestations
3.87
Hepatobiliary disorders
3.44
Cardiac disorders
3.17
Pregnancy, puerperium and perinatal conditions
2.1
Eye disorders
2.09

Cross References

Resources Reference
CAS NUMBER 60-56-0
ChEBI 50673
ChEMBL CHEMBL1515
DrugBank DB00763
DrugCentral 1745
EPA CompTox DTXSID4020820
FDA SRS 554Z48XN5E
Human Metabolome Database HMDB0014901
Guide to Pharmacology 6649
KEGG C07190
PDB MMZ
PharmGKB PA450422
PubChem 1349907
SureChEMBL SCHEMBL41647
ZINC ZINC000001187543