Details of the Drug

General Information of Drug (ID: DMR9M6H)

Drug Name
4-amino-3-fluoro-5-iodobenzenesulfonamide
Synonyms CHEMBL69813; 4-amino-3-fluoro-5-iodobenzenesulfonamide; 4-amino-3-fluoro-5-iodobenzene-1-sulfonamide; halogenosulfanilamide deriv. 8
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): 0 Molecular Weight (mw) 316.09
Logarithm of the Partition Coefficient (xlogp) 0.6
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C6H6FIN2O2S
IUPAC Name
4-amino-3-fluoro-5-iodobenzenesulfonamide
Canonical SMILES
C1=C(C=C(C(=C1F)N)I)S(=O)(=O)N
InChI
InChI=1S/C6H6FIN2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)
InChIKey
KDXNVSMWRXCNMY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10903168
TTD ID
D07MQB

Molecular Interaction Atlas of This Drug


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

References

1 Carbonic anhydrase inhibitors: cloning, characterization, and inhibition studies of the cytosolic isozyme III with sulfonamides. Bioorg Med Chem. 2007 Dec 1;15(23):7229-36.