Details of the Drug

General Information of Drug (ID: DM2OUG0)

Drug Name
2-tosylnaphthalene
Synonyms
2-tosylnaphthalene; 2-Naphthyl-p-tolyl sulfone; CHEMBL462553; AC1LAR2N; SCHEMBL9587829; UOUHDIZYOCFQKG-UHFFFAOYSA-N; 4-methylphenyl 2-naphthyl sulfone; ZINC32149231; BDBM50245927; 2-(4-methylphenyl)sulfonylnaphthalene; 2-[(4-Methylphenyl)sulfonyl]naphthalene; 2-[(4-Methylphenyl)sulfonyl]naphthalene #
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) 282.4
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C17H14O2S
IUPAC Name
2-(4-methylphenyl)sulfonylnaphthalene
Canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C17H14O2S/c1-13-6-9-16(10-7-13)20(18,19)17-11-8-14-4-2-3-5-15(14)12-17/h2-12H,1H3
InChIKey
UOUHDIZYOCFQKG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
518736
TTD ID
D0GU4M

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial Beta-ketoacyl-ACP synthase III (Bact fabH) TTRVTMX FABH_ECOLI Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Synthesis and biological evaluation of novel sulfonyl-naphthalene-1,4-diols as FabH inhibitors. Bioorg Med Chem Lett. 2008 Dec 15;18(24):6402-5.