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]
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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.