Details of the Drug

General Information of Drug (ID: DM7CM3F)

• Drug Name: N-(3-phenoxypyridin-4-yl)methanesulfonamide
• Synonyms: CHEMBL148542; N-(3-phenoxy-4-pyridinyl)methanesulfonamide; 180194-78-9; N-(3-phenoxypyridin-4-yl)methanesulfonamide; CTK0E3181; DTXSID30437284; BDBM50120980; N-(3-Phenoxy-4-pyridyl)methanesulfonamide; N-(3-Phenoxy-pyridin-4-yl)-methanesulfonamide; Methanesulfonamide, N-(3-phenoxy-4-pyridinyl)-

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 264.3
  Logarithm of the Partition Coefficient (xlogp); 1.3
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C12H12N2O3S
  IUPAC Name: N-(3-phenoxypyridin-4-yl)methanesulfonamide
  Canonical SMILES: CS(=O)(=O)NC1=C(C=NC=C1)OC2=CC=CC=C2
  InChI: InChI=1S/C12H12N2O3S/c1-18(15,16)14-11-7-8-13-9-12(11)17-10-5-3-2-4-6-10/h2-9H,1H3,(H,13,14)
  InChIKey: CQEDUEBRINEBGP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10244543
  CAS Number: 180194-78-9
  TTD ID: D0VF6F

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]

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

References

• [1] Pyridine analogues of nimesulide: design, synthesis, and in vitro and in vivo pharmacological evaluation as promising cyclooxygenase 1 and 2 inhibi... J Med Chem. 2009 Oct 8;52(19):5864-71.