Details of the Drug

General Information of Drug (ID: DMESHV2)

Drug Name
SODIUM PERFLUOROHEXANESULFONAMIDE
Synonyms CHEMBL1076889; Sodium perfluorohexane sulfonamide
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
1		 Molecular Weight 421.11
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 16
Chemical Identifiers
Formula
C6HF13NNaO2S
IUPAC Name
sodium;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylazanide
Canonical SMILES
C(C(C(C(F)(F)S(=O)(=O)[NH-])(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F.[Na+]
InChI
InChI=1S/C6HF13NO2S.Na/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22;/h(H-,20,21,22);/q-1;+1
InChIKey
WEVJDFCVPBPCIK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
46865217
TTD ID
D0F4ZW

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Carbonic anhydrase II (CA-II) TTANPDJ CAH2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Carbonic anhydrase II (CA-II) DTT CA2 7.95E-08 0.52 0.33
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Synthesis and investigation of inhibition effect of fluorinated sulfonamide derivatives on carbonic anhydrase. Eur J Med Chem. 2010 Mar;45(3):1225-9.