Details of the Drug

General Information of Drug (ID: DM7P5VM)

• Drug Name: (E)-2-(4-fluorostyryl)-5-(phenylsulfonyl)pyridine
• Synonyms: CHEMBL394729; (E)-2-(4-fluorostyryl)-5-(phenylsulfonyl)pyridine

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); 339.4
  Logarithm of the Partition Coefficient (xlogp); 4.1
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C19H14FNO2S
  IUPAC Name: 5-(benzenesulfonyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]pyridine
  Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)C2=CN=C(C=C2)/C=C/C3=CC=C(C=C3)F
  InChI: InChI=1S/C19H14FNO2S/c20-16-9-6-15(7-10-16)8-11-17-12-13-19(14-21-17)24(22,23)18-4-2-1-3-5-18/h1-14H/b11-8+
  InChIKey: ANNXZFGXMGNRDN-DHZHZOJOSA-N
• Cross-matching ID:
  PubChem CID: 44439376
  TTD ID: D09HFT

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 2A receptor (HTR2A)	TTJQOD7	5HT2A_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
5-HT 2A receptor (HTR2A)	DTT	HTR2A	1.68E-01	-0.3	-0.14
5-HT 2A receptor (HTR2A)	DTT	HTR2A	5.59E-01	0.15	0.21

References

• [1] 2,5-Disubstituted pyridines: the discovery of a novel series of 5-HT2A ligands. Bioorg Med Chem Lett. 2007 May 1;17(9):2643-8.