Details of the Drug

General Information of Drug (ID: DMN1DPJ)

Drug Name

N-(3-phenoxy-4-pyridinyl)propanesulfonamide

Synonyms

CHEMBL389485; N-(3-phenoxy-4-pyridinyl)propanesulfonamide

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)

292.36

Logarithm of the Partition Coefficient (xlogp)

2.2

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C14H16N2O3S
IUPAC Name: N-(3-phenoxypyridin-4-yl)propane-1-sulfonamide
Canonical SMILES: CCCS(=O)(=O)NC1=C(C=NC=C1)OC2=CC=CC=C2
InChI: InChI=1S/C14H16N2O3S/c1-2-10-20(17,18)16-13-8-9-15-11-14(13)19-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,15,16)
InChIKey: LHXILNAQPGRTDA-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prostaglandin G/H synthase 1 (COX-1)	TT8NGED	PGH1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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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
Prostaglandin G/H synthase 1 (COX-1)	DTT	PTGS1	3.97E-03	0.16	0.43

Molecular Expression Atlas (MEA)

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References

1	Design, synthesis, and pharmacological evaluation of pyridinic analogues of nimesulide as cyclooxygenase-2 selective inhibitors. J Med Chem. 2004 Dec 30;47(27):6749-59.