Details of the Drug

General Information of Drug (ID: DMMBYGE)

Drug Name
Benzenesulfonyl
Synonyms
benzenesulfinate; 16722-50-2; BENZENESULFONYL; phenylsulfinate; phenyl sulfinate; Phenylsulfinsaure; (Phenylsulfonyl)radical; AC1MYJCD; Benzenethiol S,S-dioxide; C6H5O2S; SCHEMBL13707414; CHEBI:38100; MolPort-019-857-533; JEHKKBHWRAXMCH-UHFFFAOYSA-M; STL483233; HTS027703; ZINC150345494; AKOS015890258; AB00990983-01
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) 141.17
Logarithm of the Partition Coefficient (xlogp) 0.1
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C6H5O2S-
IUPAC Name
benzenesulfinate
Canonical SMILES
C1=CC=C(C=C1)S(=O)[O-]
InChI
InChI=1S/C6H6O2S/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)/p-1
InChIKey
JEHKKBHWRAXMCH-UHFFFAOYSA-M
Cross-matching ID
PubChem CID
3857574
ChEBI ID
CHEBI:38100
TTD ID
D08LFT

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Oxysterols receptor LXR-beta (NR1H2) TTXA6PH NR1H2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.