Structure

InChI Key FLOSMHQXBMRNHR-QPJJXVBHSA-N
Smile CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
InChI
InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4+

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H8N4O3S2
Molecular Weight 236.28
AlogP -1.42
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 107.41
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 14.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Carbonic anhydrase II inhibitor PubMed DailyMed
Primary Target
carbonic anhydrase 7
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- 5-21 - 9-14000 -
Enzyme
- 5-21 - 9-14000 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 101

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Uterine Cervical Neoplasms 2 D002583 ClinicalTrials
Altitude Sickness 1 D000532 ClinicalTrials

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Eye disorders
20.0
General disorders and administration site conditions
10.0
Investigations
10.0
Musculoskeletal and connective tissue disorders
10.0
Renal and urinary disorders
10.0
Gastrointestinal disorders
7.5
Nervous system disorders
7.5
Cardiac disorders
5.0
Respiratory, thoracic and mediastinal disorders
5.0
Vascular disorders
5.0
Blood and lymphatic system disorders
2.5
Metabolism and nutrition disorders
2.5
Reproductive system and breast disorders
2.5
Skin and subcutaneous tissue disorders
2.5

Cross References

Resources Reference
CAS NUMBER 554-57-4
ChEBI 6822
ChEMBL CHEMBL19
DrugBank DB00703
FDA SRS W733B0S9SD
Guide to Pharmacology 6828
KEGG C07764
SureChEMBL SCHEMBL24687
ZINC ZINC000100019188