Structure

InChI Key GJQPMPFPNINLKP-UHFFFAOYSA-N
Smile NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1
InChI
InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H6Cl2N2O4S2
Molecular Weight 305.16
AlogP 0.29
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 120.32
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Carbonic anhydrase II inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- 38-40 - 8-38000 -
Enzyme
- 38-40 - 8-38000 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypokalemic Periodic Paralysis 3 D020514 ClinicalTrials
Paralysis, Hyperkalemic Periodic 3 D020513 ClinicalTrials
Myotonic Disorders 3 D020967 ClinicalTrials

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
25.45
General disorders and administration site conditions
14.31
Psychiatric disorders
12.38
Gastrointestinal disorders
9.22
Skin and subcutaneous tissue disorders
7.43
Musculoskeletal and connective tissue disorders
4.81
Cardiac disorders
4.68
Vascular disorders
4.4
Investigations
3.58
Metabolism and nutrition disorders
2.75
Respiratory, thoracic and mediastinal disorders
2.75
Injury, poisoning and procedural complications
2.2
Eye disorders
2.06

Cross References

Resources Reference
CAS NUMBER 120-97-8
ChEBI 101085
ChEMBL CHEMBL17
DrugBank DB01144
DrugCentral 864
EPA CompTox DTXSID1022922
FDA SRS VVJ6673MHY
Human Metabolome Database HMDB0015275
Guide to Pharmacology 6807
KEGG C07459
PDB I7A
PharmGKB PA164745512
PubChem 3038
SureChEMBL SCHEMBL112376
ZINC ZINC000000896918